(15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene

C18H22 — CID 142100998

IUPAC(15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene
SMILESCc1ccc2c(c1)CCC1=C(C/C=C\CCC1)C2
InChIInChI=1S/C18H22/c1-14-8-9-18-13-16-7-5-3-2-4-6-15(16)10-11-17(18)12-14/h3,5,8-9,12H,2,4,6-7,10-11,13H2,1H3/b5-3-
InChIKeyQGZZGYNGTDSRHN-HYXAFXHYSA-N
MW238.37 g/mol
LogP4.91
Rot. Bonds

About (15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene

(15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene (PubChem CID 142100998) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is (15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene.

Molecular Properties

Compound Name(15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene
PubChem CID142100998
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name(15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene
SMILESCc1ccc2c(c1)CCC1=C(C/C=C\CCC1)C2
InChIInChI=1S/C18H22/c1-14-8-9-18-13-16-7-5-3-2-4-6-15(16)10-11-17(18)12-14/h3,5,8-9,12H,2,4,6-7,10-11,13H2,1H3/b5-3-
InChIKeyQGZZGYNGTDSRHN-HYXAFXHYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.91
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

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7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 58285092
6,13-dimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,12,14-pentaene
CID 142002529
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
2,6-dimethyl-4,9-dihydro-3H-benzo[f]benzimidazole
CID 89032192
7-methyl-1,2-dihydronaphthalene
CID 123252357
2,7-dimethyl-3,4-dihydroquinoline
CID 59458325
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CID 142155353

Frequently Asked Questions

What is the IUPAC name of (15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene?
The IUPAC name of (15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene (CID 142100998) is (15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene.
What is the SMILES notation for (15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene?
The canonical SMILES for (15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene is Cc1ccc2c(c1)CCC1=C(C/C=C\CCC1)C2.
What is the InChIKey of (15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene?
The InChIKey is QGZZGYNGTDSRHN-HYXAFXHYSA-N. The full InChI is InChI=1S/C18H22/c1-14-8-9-18-13-16-7-5-3-2-4-6-15(16)10-11-17(18)12-14/h3,5,8-9,12H,2,4,6-7,10-11,13H2,1H3/b5-3-.
What are the key properties of (15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene?
(15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene has a molecular weight of 238.37 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene is sourced from PubChem (CID 142100998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).