11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene

C14H18 — CID 123553439

IUPAC11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene
SMILESCC1C=C2C3CC4CC5C3C2C5C4C1
InChIInChI=1S/C14H18/c1-6-2-8-7-4-10-9(3-6)14-12(8)11(5-7)13(10)14/h3,6-8,10-14H,2,4-5H2,1H3
InChIKeyFAPWCUYMPUZHCD-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.10
Rot. Bonds

About 11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene

11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene (PubChem CID 123553439) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene.

Molecular Properties

Compound Name11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene
PubChem CID123553439
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene
SMILESCC1C=C2C3CC4CC5C3C2C5C4C1
InChIInChI=1S/C14H18/c1-6-2-8-7-4-10-9(3-6)14-12(8)11(5-7)13(10)14/h3,6-8,10-14H,2,4-5H2,1H3
InChIKeyFAPWCUYMPUZHCD-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.10
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

tetracyclo[5.1.0.02,4.03,5]octane
CID 12871558
2-(3,5-dimethylcyclopenten-1-yl)-3-methylbicyclo[2.2.0]hexane
CID 158280740
(1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane
CID 143721381
(6R)-pentacyclo[5.4.0.02,6.03,5.08,10]undecane
CID 163852923
tetracyclo[5.4.0.02,10.03,5]undec-7-ene
CID 147386331
tetracyclo[4.4.0.02,4.07,9]dec-4-ene
CID 163437767
tricyclo[5.2.1.02,6]decane-3,4,9-triol
CID 13191206
2-(cyclopenten-1-yl)bicyclo[2.1.0]pentane
CID 147366284
heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane
CID 90855618
(1S,3R,7S,8S,8aR)-8-ethyl-3,5,7-trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 71133315
trimethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-8-enyl)silane
CID 140537347
6-methyltricyclo[3.3.0.02,8]oct-4-ene
CID 163855748

Frequently Asked Questions

What is the IUPAC name of 11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene?
The IUPAC name of 11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene (CID 123553439) is 11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene.
What is the SMILES notation for 11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene?
The canonical SMILES for 11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene is CC1C=C2C3CC4CC5C3C2C5C4C1.
What is the InChIKey of 11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene?
The InChIKey is FAPWCUYMPUZHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-6-2-8-7-4-10-9(3-6)14-12(8)11(5-7)13(10)14/h3,6-8,10-14H,2,4-5H2,1H3.
What are the key properties of 11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene?
11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene has a molecular weight of 186.30 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylpentacyclo[6.5.0.02,7.03,13.05,9]tridec-12-ene is sourced from PubChem (CID 123553439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).