2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol

C11H16O — CID 12734502

IUPAC2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol
SMILESC=CCC1(O)CC2C=CC1CC2
InChIInChI=1S/C11H16O/c1-2-7-11(12)8-9-3-5-10(11)6-4-9/h2-3,5,9-10,12H,1,4,6-8H2
InChIKeyWJSVTKRFLKEBRT-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.28
Rot. Bonds2

About 2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol

2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol (PubChem CID 12734502) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol.

Molecular Properties

Compound Name2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol
PubChem CID12734502
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol
SMILESC=CCC1(O)CC2C=CC1CC2
InChIInChI=1S/C11H16O/c1-2-7-11(12)8-9-3-5-10(11)6-4-9/h2-3,5,9-10,12H,1,4,6-8H2
InChIKeyWJSVTKRFLKEBRT-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.28
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

epi-alpha-Cadinol
CID 160799
Alpha-Cadinol
CID 10398656
Cadin-4-en-10-ol
CID 519662
delta-Cadinol
CID 3084311
Chamomillol
CID 102095305
Cubenol
CID 11770062
(+)-Epicubenol
CID 11831045
epi-alpha-Muurolol
CID 3084331
(+)-tau-Muurolol
CID 51394521
1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenol
CID 519857
1,2,3,4,4a,5,6,8a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-naphthalenol
CID 527220
Cadinol
CID 6428423

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol?
The IUPAC name of 2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol (CID 12734502) is 2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol.
What is the SMILES notation for 2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol?
The canonical SMILES for 2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol is C=CCC1(O)CC2C=CC1CC2.
What is the InChIKey of 2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol?
The InChIKey is WJSVTKRFLKEBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-7-11(12)8-9-3-5-10(11)6-4-9/h2-3,5,9-10,12H,1,4,6-8H2.
What are the key properties of 2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol?
2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol has a molecular weight of 164.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylbicyclo[2.2.2]oct-5-en-2-ol is sourced from PubChem (CID 12734502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).