1-cyclopropyl-4-methylpentane-1,2-diol

C9H18O2 — CID 103456758

IUPAC1-cyclopropyl-4-methylpentane-1,2-diol
SMILESCC(C)CC(O)C(O)C1CC1
InChIInChI=1S/C9H18O2/c1-6(2)5-8(10)9(11)7-3-4-7/h6-11H,3-5H2,1-2H3
InChIKeyQPSUXBFSKXQCOZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.16
Rot. Bonds4

About 1-cyclopropyl-4-methylpentane-1,2-diol

1-cyclopropyl-4-methylpentane-1,2-diol (PubChem CID 103456758) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-cyclopropyl-4-methylpentane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-4-methylpentane-1,2-diol
PubChem CID103456758
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-cyclopropyl-4-methylpentane-1,2-diol
SMILESCC(C)CC(O)C(O)C1CC1
InChIInChI=1S/C9H18O2/c1-6(2)5-8(10)9(11)7-3-4-7/h6-11H,3-5H2,1-2H3
InChIKeyQPSUXBFSKXQCOZ-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-4-methylpentane-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

2-amino-1-cyclopropyl-4-methylpentan-1-ol
CID 62762197
1-cyclopropyl-4-methylidenehexane-1,2-diol
CID 103457031
1-cyclohexyl-1-methoxy-4-methylpentan-2-ol
CID 116756323
(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
CID 158186042
(2R,3S,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
CID 102069608
2-chloro-5-methylhexan-3-ol
CID 116863615
(2R)-1,1-difluoro-4-methylpentan-2-ol
CID 171795425
4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol
CID 83151026
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;hydrochloride
CID 18643834
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;dihydrochloride
CID 18643833
(2R,3S,4S)-6-methylheptane-1,1,2,3,4-pentol
CID 59876270
5-amino-2,7-dimethyloctan-4-ol
CID 54358847

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methylpentane-1,2-diol?
The IUPAC name of 1-cyclopropyl-4-methylpentane-1,2-diol (CID 103456758) is 1-cyclopropyl-4-methylpentane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-4-methylpentane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-4-methylpentane-1,2-diol is CC(C)CC(O)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-methylpentane-1,2-diol?
The InChIKey is QPSUXBFSKXQCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-6(2)5-8(10)9(11)7-3-4-7/h6-11H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-methylpentane-1,2-diol?
1-cyclopropyl-4-methylpentane-1,2-diol has a molecular weight of 158.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methylpentane-1,2-diol is sourced from PubChem (CID 103456758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).