(3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene

C15H24 — CID 5362885

IUPAC(3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene
SMILESC=C1CCC/C(C)=C\CC2C1CC2(C)C
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h8,13-14H,2,5-7,9-10H2,1,3-4H3/b11-8-
InChIKeyNSMRKFBAPAOVQL-FLIBITNWSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds

About (3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene

(3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene (PubChem CID 5362885) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene.

Molecular Properties

Compound Name(3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene
PubChem CID5362885
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene
SMILESC=C1CCC/C(C)=C\CC2C1CC2(C)C
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h8,13-14H,2,5-7,9-10H2,1,3-4H3/b11-8-
InChIKeyNSMRKFBAPAOVQL-FLIBITNWSA-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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Frequently Asked Questions

What is the IUPAC name of (3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene?
The IUPAC name of (3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene (CID 5362885) is (3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene.
What is the SMILES notation for (3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene?
The canonical SMILES for (3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene is C=C1CCC/C(C)=C\CC2C1CC2(C)C.
What is the InChIKey of (3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene?
The InChIKey is NSMRKFBAPAOVQL-FLIBITNWSA-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/h8,13-14H,2,5-7,9-10H2,1,3-4H3/b11-8-.
What are the key properties of (3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene?
(3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-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 (3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene is sourced from PubChem (CID 5362885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).