CCC(CC)O
CAS: 584-02-1
Name: pentan-3-ol
SMILES: CCC(CC)O

Molecular Processing

Molecular formula
C5H12O
Molecular weight
88.15
Exact mass
88.0888
XLogP
1.17
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
1
Molar refractivity
26.59

Supplementary Information

InChIKey: AQIXEPGDORPWBJ-UHFFFAOYSA-N
Synonyme
3-PENTANOL584-02-1Pentan-3-olDiethyl carbinolPentanol-33-Pentyl alcohol1-Ethyl-1-propanolNSC 8654MFCD00004574(C2H5)2CHOHX4ELC182I5NSC-86543-Pentyl--d5 AlcoholDiethylcarbinolEINECS 209-526-7BRN 1730964UNII-X4ELC182I5AI3-24335144032-75-73-Pentanol, 98%3-PENTANOL [MI]SCHEMBL5341SCHEMBL22505SCHEMBL311944-01-00-01662 (Beilstein Handbook Reference)CHEMBL47100SCHEMBL248124SCHEMBL269885SCHEMBL580283SCHEMBL897485
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