3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol

C9H16O — CID 90022517

IUPAC3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol
SMILESOCCCC12CCCC1C2
InChIInChI=1S/C9H16O/c10-6-2-5-9-4-1-3-8(9)7-9/h8,10H,1-7H2
InChIKeyFYGNRCKJZRSFPO-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds3

About 3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol

3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol (PubChem CID 90022517) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol.

Molecular Properties

Compound Name3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol
PubChem CID90022517
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol
SMILESOCCCC12CCCC1C2
InChIInChI=1S/C9H16O/c10-6-2-5-9-4-1-3-8(9)7-9/h8,10H,1-7H2
InChIKeyFYGNRCKJZRSFPO-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol?
The IUPAC name of 3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol (CID 90022517) is 3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol.
What is the SMILES notation for 3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol?
The canonical SMILES for 3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol is OCCCC12CCCC1C2.
What is the InChIKey of 3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol?
The InChIKey is FYGNRCKJZRSFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c10-6-2-5-9-4-1-3-8(9)7-9/h8,10H,1-7H2.
What are the key properties of 3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol?
3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol is sourced from PubChem (CID 90022517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).