9-methylbicyclo[5.4.2]tridec-8-ene

C14H24 — CID 123995868

IUPAC9-methylbicyclo[5.4.2]tridec-8-ene
SMILESCC1=CC2CCCCCC(CC1)CC2
InChIInChI=1S/C14H24/c1-12-7-8-13-5-3-2-4-6-14(11-12)10-9-13/h11,13-14H,2-10H2,1H3
InChIKeyFJXXZFSUCIMAJB-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.70
Rot. Bonds

About 9-methylbicyclo[5.4.2]tridec-8-ene

9-methylbicyclo[5.4.2]tridec-8-ene (PubChem CID 123995868) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 9-methylbicyclo[5.4.2]tridec-8-ene.

Molecular Properties

Compound Name9-methylbicyclo[5.4.2]tridec-8-ene
PubChem CID123995868
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name9-methylbicyclo[5.4.2]tridec-8-ene
SMILESCC1=CC2CCCCCC(CC1)CC2
InChIInChI=1S/C14H24/c1-12-7-8-13-5-3-2-4-6-14(11-12)10-9-13/h11,13-14H,2-10H2,1H3
InChIKeyFJXXZFSUCIMAJB-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.70
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

bicyclo[4.4.2]dodecane;cyclooctane
CID 158063107
bicyclo[112.2.2]octadecahectane
CID 91239791
bicyclo[5.5.3]pentadecane
CID 59938678
3-methylcyclotetradec-2-ene-1-carboxylic acid
CID 123696778
bicyclo[5.2.2]undec-8-ene
CID 71397836
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcycloicosane
CID 123296856
3-iodo-1-methylcyclohexene
CID 86119849
(5S)-bicyclo[3.2.1]oct-1(8)-ene
CID 154518637
(19Z)-bicyclo[9.7.2]icos-19-ene
CID 177397060
ethane;8-methyl-8-azabicyclo[5.1.0]octane
CID 90889945
(1Z)-bicyclo[6.2.1]undec-1-ene
CID 149112398

Frequently Asked Questions

What is the IUPAC name of 9-methylbicyclo[5.4.2]tridec-8-ene?
The IUPAC name of 9-methylbicyclo[5.4.2]tridec-8-ene (CID 123995868) is 9-methylbicyclo[5.4.2]tridec-8-ene.
What is the SMILES notation for 9-methylbicyclo[5.4.2]tridec-8-ene?
The canonical SMILES for 9-methylbicyclo[5.4.2]tridec-8-ene is CC1=CC2CCCCCC(CC1)CC2.
What is the InChIKey of 9-methylbicyclo[5.4.2]tridec-8-ene?
The InChIKey is FJXXZFSUCIMAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-12-7-8-13-5-3-2-4-6-14(11-12)10-9-13/h11,13-14H,2-10H2,1H3.
What are the key properties of 9-methylbicyclo[5.4.2]tridec-8-ene?
9-methylbicyclo[5.4.2]tridec-8-ene has a molecular weight of 192.35 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylbicyclo[5.4.2]tridec-8-ene is sourced from PubChem (CID 123995868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).