[(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol

C15H24O — CID 5315299

IUPAC[(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
SMILESC=C1CC/C=C(/CO)CCC2C1CC2(C)C
InChIInChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+
InChIKeyMGIQTXDHQJGPEZ-WUXMJOGZSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds1

About [(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol

[(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol (PubChem CID 5315299) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol.

Molecular Properties

Compound Name[(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
PubChem CID5315299
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
SMILESC=C1CC/C=C(/CO)CCC2C1CC2(C)C
InChIInChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+
InChIKeyMGIQTXDHQJGPEZ-WUXMJOGZSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol with MolForge

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Related Compounds

(+-)-Myrtenol
CID 10582
Nopol
CID 31408
Verbenol
CID 61126
Nopol, (+-)-
CID 1272250
Bicyclo(7.2.0)undecan-5-ol, 10,10-dimethyl-2,6-bis(methylene)-
CID 527418
Verbenol, (S)-cis-
CID 87839
1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol
CID 66963592
Verbenol, (S)-trans-
CID 88298
Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1R,2S,5R)-rel-
CID 89664
(+)-cis-Verbenol
CID 164888
Bicyclo[7.2.0]undec-3-en-5-ol, 4,11,11-trimethyl-8-methylene-, (1R,3Z,5S,9S)-rel-
CID 12312991
2-Cyclohexen-1-ol, 2,6-dimethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 90092947

Frequently Asked Questions

What is the IUPAC name of [(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol?
The IUPAC name of [(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol (CID 5315299) is [(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol.
What is the SMILES notation for [(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol?
The canonical SMILES for [(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol is C=C1CC/C=C(/CO)CCC2C1CC2(C)C.
What is the InChIKey of [(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol?
The InChIKey is MGIQTXDHQJGPEZ-WUXMJOGZSA-N. The full InChI is InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+.
What are the key properties of [(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol?
[(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol is sourced from PubChem (CID 5315299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).