COC(=O)CCCCC(=O)OC
CAS: 627-93-0
Name: dimethyl hexanedioate
SMILES: COC(=O)CCCCC(=O)OC

Molecular Processing

Molecular formula
C8H14O4
Molecular weight
174.2
Exact mass
174.0892
XLogP
0.89
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
42.5

Supplementary Information

InChIKey: UDSFAEKRVUSQDD-UHFFFAOYSA-N
Synonyme
DimethyladipateRefChem:134217Dimethyl adipate627-93-0Dimethyl hexanedioateAdipic acid dimethyl esterHEXANEDIOIC ACID, DIMETHYL ESTERAdipic acid, dimethyl ester1,6-DimethylhexanedioateMFCD000084691,6-dimethyl hexanedioateDBE 6hexanedioic acid dimethyl esterDTXSID8025096Adipic acid-dimethyl esteradipinic acid dimethyl esterDibasicestersBY71RX0R62NSC-11213Hexanedioic acid, 1,6-dimethyl esterdimethyl hexane-1,6-dioateDiMethyl Hexanedioate--d4DTXCID605096Methyl adipate (VAN)CAS-627-93-0HSDB 5021EINECS 211-020-6NSC 11213BRN 1707443UNII-BY71RX0R62
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