1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene

C13H16 — CID 123858491

IUPAC1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
SMILESCCc1ccccccc(C)cc1
InChIInChI=1S/C13H16/c1-3-13-9-7-5-4-6-8-12(2)10-11-13/h4-11H,3H2,1-2H3/b5-4+,6-4+,7-5-,8-6-,9-7-,11-10+,12-8-,12-10-,13-9-,13-11+
InChIKeyBZCKTDVTOQFZCV-OSZOLHJASA-N
MW172.27 g/mol
LogP3.68
Rot. Bonds1

About 1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene

1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene (PubChem CID 123858491) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
PubChem CID123858491
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
SMILESCCc1ccccccc(C)cc1
InChIInChI=1S/C13H16/c1-3-13-9-7-5-4-6-8-12(2)10-11-13/h4-11H,3H2,1-2H3/b5-4+,6-4+,7-5-,8-6-,9-7-,11-10+,12-8-,12-10-,13-9-,13-11+
InChIKeyBZCKTDVTOQFZCV-OSZOLHJASA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
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CID 159984760
ethylbenzene;methylsulfanylmethane;toluene
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8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene
CID 91350329
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
ethylcyclodecapentaene
CID 90861705
ethylbenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
CID 174313619
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
1-benzyl-4-methylbenzene;toluene
CID 144690555
ethane;ethylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,4-xylene
CID 159108053

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene?
The IUPAC name of 1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene (CID 123858491) is 1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene.
What is the SMILES notation for 1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene?
The canonical SMILES for 1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene is CCc1ccccccc(C)cc1.
What is the InChIKey of 1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene?
The InChIKey is BZCKTDVTOQFZCV-OSZOLHJASA-N. The full InChI is InChI=1S/C13H16/c1-3-13-9-7-5-4-6-8-12(2)10-11-13/h4-11H,3H2,1-2H3/b5-4+,6-4+,7-5-,8-6-,9-7-,11-10+,12-8-,12-10-,13-9-,13-11+.
What are the key properties of 1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene?
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene has a molecular weight of 172.27 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 123858491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).