3-cyclopropylpropane-1,2-diol

C6H12O2 — CID 13302066

IUPAC3-cyclopropylpropane-1,2-diol
SMILESOCC(O)CC1CC1
InChIInChI=1S/C6H12O2/c7-4-6(8)3-5-1-2-5/h5-8H,1-4H2
InChIKeyNISQDJZFMICWIR-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.14
Rot. Bonds3

About 3-cyclopropylpropane-1,2-diol

3-cyclopropylpropane-1,2-diol (PubChem CID 13302066) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-cyclopropylpropane-1,2-diol.

Molecular Properties

Compound Name3-cyclopropylpropane-1,2-diol
PubChem CID13302066
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-cyclopropylpropane-1,2-diol
SMILESOCC(O)CC1CC1
InChIInChI=1S/C6H12O2/c7-4-6(8)3-5-1-2-5/h5-8H,1-4H2
InChIKeyNISQDJZFMICWIR-UHFFFAOYSA-N
XLogP0.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropylpropane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclopropylethane-1,2-diol
CID 53420227
(2S)-1-cyclopropylpropan-2-ol
CID 75539610
(2R)-1-cyclopropylpropan-2-ol
CID 75539611
1-Cyclopropyl-2-methoxypropan-1-ol
CID 79609956
2-Propylcyclopropan-1-ol
CID 13568632
5-Methylhexane-1,2-diol
CID 15270165
1-(1-Hydroxy-2-methylcyclopropyl)ethane-1,2-diol
CID 53940675
cis-(1R,2R)-2-propylcyclopropan-1-ol
CID 89420049
4-Methylpentane-1,2-diol
CID 91171
(S)-4-Methylpentane-1,2-diol
CID 10909553
3-Methylhexane-1,2-diol
CID 13403650
(2R,3S)-3-methylhexane-1,2-diol
CID 13403651

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylpropane-1,2-diol?
The IUPAC name of 3-cyclopropylpropane-1,2-diol (CID 13302066) is 3-cyclopropylpropane-1,2-diol.
What is the SMILES notation for 3-cyclopropylpropane-1,2-diol?
The canonical SMILES for 3-cyclopropylpropane-1,2-diol is OCC(O)CC1CC1.
What is the InChIKey of 3-cyclopropylpropane-1,2-diol?
The InChIKey is NISQDJZFMICWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c7-4-6(8)3-5-1-2-5/h5-8H,1-4H2.
What are the key properties of 3-cyclopropylpropane-1,2-diol?
3-cyclopropylpropane-1,2-diol has a molecular weight of 116.16 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylpropane-1,2-diol is sourced from PubChem (CID 13302066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).