C(CCO)CCO
CAS: 111-29-5
Name: pentane-1,5-diol
SMILES: C(CCO)CCO

Molecular Processing

Molecular formula
C5H12O2
Molecular weight
104.15
Exact mass
104.0837
XLogP
0.14
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
28.02

Supplementary Information

InChIKey: ALQSHHUCVQOPAS-UHFFFAOYSA-N
Synonyme
1,5-PENTANEDIOLPentane-1,5-diol111-29-51,5-DihydroxypentanePentamethylene glycol1,5-Pentamethylene glycol1,5-Pentylene glycolalpha,omega-PentanediolDTXSID204125607UXZ0SCSTNSC-5927DTXCID0021256RefChem:73549203-854-41,5 PentanediolNSC 59271,5-PentandiolMFCD00002978.alpha.,.omega.-Pentanediol31784-47-1EINECS 203-854-4UNII-07UXZ0SCSTBRN 1560130AI3-033181.5-pentanediol9JEpentan-1,5-diol1,5-pentane diol.omega.-PentanediolPentane diol-1,5
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