[3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol

C11H18O — CID 163878280

IUPAC[3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol
SMILESOCC12CC1(CC1CCCC1)C2
InChIInChI=1S/C11H18O/c12-8-11-6-10(11,7-11)5-9-3-1-2-4-9/h9,12H,1-8H2
InChIKeyPQVDLZLBEMTZEG-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.34
Rot. Bonds3

About [3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol

[3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol (PubChem CID 163878280) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is [3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol.

Molecular Properties

Compound Name[3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol
PubChem CID163878280
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name[3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol
SMILESOCC12CC1(CC1CCCC1)C2
InChIInChI=1S/C11H18O/c12-8-11-6-10(11,7-11)5-9-3-1-2-4-9/h9,12H,1-8H2
InChIKeyPQVDLZLBEMTZEG-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol?
The IUPAC name of [3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol (CID 163878280) is [3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol.
What is the SMILES notation for [3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol?
The canonical SMILES for [3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol is OCC12CC1(CC1CCCC1)C2.
What is the InChIKey of [3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol?
The InChIKey is PQVDLZLBEMTZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c12-8-11-6-10(11,7-11)5-9-3-1-2-4-9/h9,12H,1-8H2.
What are the key properties of [3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol?
[3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol has a molecular weight of 166.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol is sourced from PubChem (CID 163878280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).