2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol

C10H16O — CID 13040771

IUPAC2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol
SMILESOCCC1CC2C=CC(C2)C1
InChIInChI=1S/C10H16O/c11-4-3-10-6-8-1-2-9(5-8)7-10/h1-2,8-11H,3-7H2
InChIKeySJRFVKBUKRIAHF-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds2

About 2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol

2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol (PubChem CID 13040771) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol.

Molecular Properties

Compound Name2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol
PubChem CID13040771
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol
SMILESOCCC1CC2C=CC(C2)C1
InChIInChI=1S/C10H16O/c11-4-3-10-6-8-1-2-9(5-8)7-10/h1-2,8-11H,3-7H2
InChIKeySJRFVKBUKRIAHF-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
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

2-Cyclohexene-1-methanol, 4-(1-methylethyl)-
CID 564463
Bicyclo[3.3.1]non-6-en-3-ol
CID 361986
3-(Cyclohex-2-en-1-yl)propan-1-ol
CID 12396302
2-Cyclohexene-1-methanol, 4-(1-methylethenyl)-
CID 9812820
6-(Isopropyl)-beta,3-dimethylcyclohexene-1-propan-1-ol
CID 25076605
(4-Isopropyl-2-cyclohexen-1-yl)methanol, cis-
CID 13747942
Bicyclo[3.3.1]non-6-en-3-ylmethanol
CID 361990
(4-Isopropyl-2-cyclohexen-1-yl)methanol, trans-
CID 91700324
9S-(2-cyclopentenyl)-1-nonanol
CID 5283290
9R-(2-cyclopentenyl)-1-nonanol
CID 5283291
[3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol
CID 178160148
3-(Bicyclo[2.2.1]hept-5-en-2-yl)propan-1-ol
CID 281317

Frequently Asked Questions

What is the IUPAC name of 2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol?
The IUPAC name of 2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol (CID 13040771) is 2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol.
What is the SMILES notation for 2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol?
The canonical SMILES for 2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol is OCCC1CC2C=CC(C2)C1.
What is the InChIKey of 2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol?
The InChIKey is SJRFVKBUKRIAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c11-4-3-10-6-8-1-2-9(5-8)7-10/h1-2,8-11H,3-7H2.
What are the key properties of 2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol?
2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol is sourced from PubChem (CID 13040771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).