2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol

C11H18O — CID 89428157

IUPAC2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol
SMILESOCCC1C2CC/C=C\CCC12
InChIInChI=1S/C11H18O/c12-8-7-11-9-5-3-1-2-4-6-10(9)11/h1-2,9-12H,3-8H2/b2-1-
InChIKeyTWVLZXGSENLMSM-UPHRSURJSA-N
MW166.26 g/mol
LogP2.36
Rot. Bonds2

About 2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol

2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol (PubChem CID 89428157) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol.

Molecular Properties

Compound Name2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol
PubChem CID89428157
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol
SMILESOCCC1C2CC/C=C\CCC12
InChIInChI=1S/C11H18O/c12-8-7-11-9-5-3-1-2-4-6-10(9)11/h1-2,9-12H,3-8H2/b2-1-
InChIKeyTWVLZXGSENLMSM-UPHRSURJSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol?
The IUPAC name of 2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol (CID 89428157) is 2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol.
What is the SMILES notation for 2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol?
The canonical SMILES for 2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol is OCCC1C2CC/C=C\CCC12.
What is the InChIKey of 2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol?
The InChIKey is TWVLZXGSENLMSM-UPHRSURJSA-N. The full InChI is InChI=1S/C11H18O/c12-8-7-11-9-5-3-1-2-4-6-10(9)11/h1-2,9-12H,3-8H2/b2-1-.
What are the key properties of 2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol?
2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol has a molecular weight of 166.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-9-bicyclo[6.1.0]non-4-enyl]ethanol is sourced from PubChem (CID 89428157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).