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

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Related Compounds

4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid
CID 68759598
4-[(2S)-2,3-dihydroxypropyl]piperidine-1-carboxylic acid
CID 156506776
1-cyclopropylhexane-2,5-diol
CID 90882458
1-cyclobutyl-2-cyclopropylethanol
CID 64986544
(2S)-1-(4-methylcyclohexyl)butan-2-ol
CID 67556364
1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430
1-cyclopropyl-3-methylsulfonylpropan-2-ol
CID 112692656
1-amino-3-cyclobutylpropan-2-ol
CID 83478744
(1R,2S,3S,4R)-4-(2,3-dihydroxypropyl)cyclohexane-1,2,3-triol
CID 159161146
3-pyrrolidin-2-ylpropane-1,2-diol
CID 67326252
2-cyclopropyl-1-piperidin-4-ylethanol
CID 67828644
(2R)-1-cyclohexylbutan-2-ol
CID 59949714

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).