4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

C15H24 — CID 26318

IUPAC4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
SMILESC=C1CCC=C(C)CCC2C1CC2(C)C
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3
InChIKeyNPNUFJAVOOONJE-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds

About 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene (PubChem CID 26318) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene.

Molecular Properties

Compound Name4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
PubChem CID26318
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
SMILESC=C1CCC=C(C)CCC2C1CC2(C)C
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3
InChIKeyNPNUFJAVOOONJE-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(+-)-alpha-Pinene
CID 6654
(-)-Caryophyllene
CID 5281515
alpha-Pinene, (+)-
CID 82227
(-)-alpha-Pinene
CID 440968
(-)-Isocaryophyllene
CID 5281522
Elemene
CID 12309449
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
Trans-alpha-Bergamotene
CID 6429302
alpha-CIS-BERGAMOTENE
CID 6429303
Caryophyllene,alpha + beta mixt.
CID 5354499
(E)-2-epi-beta-caryophyllene
CID 6429274
(+)-Endo-beta-bergamotene
CID 12300073

Frequently Asked Questions

What is the IUPAC name of 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene?
The IUPAC name of 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene (CID 26318) is 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene.
What is the SMILES notation for 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene?
The canonical SMILES for 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene is C=C1CCC=C(C)CCC2C1CC2(C)C.
What is the InChIKey of 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene?
The InChIKey is NPNUFJAVOOONJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3.
What are the key properties of 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene?
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene is sourced from PubChem (CID 26318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).