1-cyclopropylheptane-1,3-diol

C10H20O2 — CID 174466446

IUPAC1-cyclopropylheptane-1,3-diol
SMILESCCCCC(O)CC(O)C1CC1
InChIInChI=1S/C10H20O2/c1-2-3-4-9(11)7-10(12)8-5-6-8/h8-12H,2-7H2,1H3
InChIKeyWPIFPTFJUCVZLH-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.70
Rot. Bonds6

About 1-cyclopropylheptane-1,3-diol

1-cyclopropylheptane-1,3-diol (PubChem CID 174466446) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-cyclopropylheptane-1,3-diol.

Molecular Properties

Compound Name1-cyclopropylheptane-1,3-diol
PubChem CID174466446
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-cyclopropylheptane-1,3-diol
SMILESCCCCC(O)CC(O)C1CC1
InChIInChI=1S/C10H20O2/c1-2-3-4-9(11)7-10(12)8-5-6-8/h8-12H,2-7H2,1H3
InChIKeyWPIFPTFJUCVZLH-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropylheptane-1,3-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-cyclopropylpentan-1-ol
CID 551238
3-ethyl-1-(4-methylcyclohexyl)heptan-1-ol
CID 63410678
(5R,7S)-undecane-5,7-diol
CID 10899409
3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol
CID 65425475
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
CID 114981328
(5S,7R)-dodecane-5,7-diol
CID 12060471
decane-4,6-diol;scandium
CID 164810305
3-butoxy-1-(4-methylcyclohexyl)propan-1-ol
CID 115003111
1-piperidin-4-ylpentan-1-ol
CID 19599407

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylheptane-1,3-diol?
The IUPAC name of 1-cyclopropylheptane-1,3-diol (CID 174466446) is 1-cyclopropylheptane-1,3-diol.
What is the SMILES notation for 1-cyclopropylheptane-1,3-diol?
The canonical SMILES for 1-cyclopropylheptane-1,3-diol is CCCCC(O)CC(O)C1CC1.
What is the InChIKey of 1-cyclopropylheptane-1,3-diol?
The InChIKey is WPIFPTFJUCVZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-9(11)7-10(12)8-5-6-8/h8-12H,2-7H2,1H3.
What are the key properties of 1-cyclopropylheptane-1,3-diol?
1-cyclopropylheptane-1,3-diol has a molecular weight of 172.27 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylheptane-1,3-diol is sourced from PubChem (CID 174466446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).