4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol

C20H32O — CID 162893224

IUPAC4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol
SMILESC=C1CCC2(O)CC=C(C)CCC=C(C)CCC1C2(C)C
InChIInChI=1S/C20H32O/c1-15-7-6-8-16(2)11-13-20(21)14-12-17(3)18(10-9-15)19(20,4)5/h7,11,18,21H,3,6,8-10,12-14H2,1-2,4-5H3
InChIKeyCJLCDNWQBLJCEZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.57
Rot. Bonds

About 4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol

4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol (PubChem CID 162893224) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol.

Molecular Properties

Compound Name4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol
PubChem CID162893224
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol
SMILESC=C1CCC2(O)CC=C(C)CCC=C(C)CCC1C2(C)C
InChIInChI=1S/C20H32O/c1-15-7-6-8-16(2)11-13-20(21)14-12-17(3)18(10-9-15)19(20,4)5/h7,11,18,21H,3,6,8-10,12-14H2,1-2,4-5H3
InChIKeyCJLCDNWQBLJCEZ-UHFFFAOYSA-N
XLogP5.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.57
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

(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene
CID 15939522
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
CID 162863170
(1R,2R,6E,10R)-7,11,11-trimethyl-3-methylidenebicyclo[8.1.0]undec-6-en-2-ol
CID 14607006
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
CID 5281522
[(1R,5Z,9R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]methanol
CID 91747230
1-[(1R,4E,9R)-4,11,11-trimethyl-8-methylidene-1-bicyclo[7.2.0]undec-4-enyl]ethanone
CID 20841383
(5Z,9Z)-3a,6,10-trimethyl-1-propan-2-ylidene-4,7,8,11,12,12a-hexahydro-3H-cyclopenta[11]annulen-2-one
CID 6518491
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol
CID 25209926
(1S,3Z,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-3,7,11-trien-1-ol
CID 71312555
(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 164666823
3,3,6-trimethyl-10-methylidene-3a,4,5,8,9,10a-hexahydrocyclonona[b]furan-2-one
CID 162932484

Frequently Asked Questions

What is the IUPAC name of 4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol?
The IUPAC name of 4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol (CID 162893224) is 4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol.
What is the SMILES notation for 4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol?
The canonical SMILES for 4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol is C=C1CCC2(O)CC=C(C)CCC=C(C)CCC1C2(C)C.
What is the InChIKey of 4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol?
The InChIKey is CJLCDNWQBLJCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-15-7-6-8-16(2)11-13-20(21)14-12-17(3)18(10-9-15)19(20,4)5/h7,11,18,21H,3,6,8-10,12-14H2,1-2,4-5H3.
What are the key properties of 4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol?
4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol is sourced from PubChem (CID 162893224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).