1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol

C9H14O — CID 90917161

IUPAC1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol
SMILESCC(O)C1C=CC2CCC21
InChIInChI=1S/C9H14O/c1-6(10)8-4-2-7-3-5-9(7)8/h2,4,6-10H,3,5H2,1H3
InChIKeyKNLJPKKCJVEIMU-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.58
Rot. Bonds1

About 1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol

1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol (PubChem CID 90917161) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol.

Molecular Properties

Compound Name1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol
PubChem CID90917161
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol
SMILESCC(O)C1C=CC2CCC21
InChIInChI=1S/C9H14O/c1-6(10)8-4-2-7-3-5-9(7)8/h2,4,6-10H,3,5H2,1H3
InChIKeyKNLJPKKCJVEIMU-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

alpha-Ethyl-3-cyclooctene-1-methanol
CID 66934567
(1R,4E,9S,10S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
CID 162863171
rac-(1R,2R,5S,6S)-tricyclo[4.2.1.0,2,5]non-7-en-3-ol
CID 154814300
(1S,2S)-2-ethylcyclohept-3-en-1-ol
CID 12162809
Bicyclo[3.2.0]hept-2-en-6-ol
CID 10866282
(1R,2R)-2-butylcyclopent-3-en-1-ol
CID 11320979
1-Cyclohex-2-en-1-yl-2-methylpropan-1-ol
CID 2754970
1-[(2Z)-cyclooct-2-en-1-yl]ethanol
CID 13581519
Endo-bicyclo(3,2,0)hept-2-en-6-ol
CID 11116010
2-[(1S,2R)-2-butylcyclopent-3-en-1-yl]ethanol
CID 11378731
(1S,2S)-2-butylcyclopent-3-en-1-ol
CID 12101917
(1R,2R)-2-ethylcyclohept-3-en-1-ol
CID 12141542

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol?
The IUPAC name of 1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol (CID 90917161) is 1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol.
What is the SMILES notation for 1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol?
The canonical SMILES for 1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol is CC(O)C1C=CC2CCC21.
What is the InChIKey of 1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol?
The InChIKey is KNLJPKKCJVEIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-6(10)8-4-2-7-3-5-9(7)8/h2,4,6-10H,3,5H2,1H3.
What are the key properties of 1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol?
1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol has a molecular weight of 138.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[3.2.0]hept-3-enyl)ethanol is sourced from PubChem (CID 90917161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).