1-hexyl-4-methylcycloocta-1,3,5,7-tetraene

C15H22 — CID 123846771

IUPAC1-hexyl-4-methylcycloocta-1,3,5,7-tetraene
SMILESCCCCCCC1=CC=C(C)C=CC=C1
InChIInChI=1S/C15H22/c1-3-4-5-6-10-15-11-8-7-9-14(2)12-13-15/h7-9,11-13H,3-6,10H2,1-2H3
InChIKeyOCIPZQRYPKCRNF-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.96
Rot. Bonds5

About 1-hexyl-4-methylcycloocta-1,3,5,7-tetraene

1-hexyl-4-methylcycloocta-1,3,5,7-tetraene (PubChem CID 123846771) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-hexyl-4-methylcycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name1-hexyl-4-methylcycloocta-1,3,5,7-tetraene
PubChem CID123846771
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-hexyl-4-methylcycloocta-1,3,5,7-tetraene
SMILESCCCCCCC1=CC=C(C)C=CC=C1
InChIInChI=1S/C15H22/c1-3-4-5-6-10-15-11-8-7-9-14(2)12-13-15/h7-9,11-13H,3-6,10H2,1-2H3
InChIKeyOCIPZQRYPKCRNF-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-heptyl-5-methylcyclohexadeca-1,3,5,7,9,11,13,15-octaene
CID 123636204
CID 142048626
CID 142048626
2-heptadecylcyclopenta-1,3-diene
CID 91156945
5-methyl-2-nonylcyclopenta-1,3-diene
CID 101132027
5-methyl-2-tetradecylcyclopenta-1,3-diene
CID 90487597
undecane chloride
CID 19736895
1-cyclododecyl-4-nonylazepine
CID 174936456
2,3-di(icosyl)bicyclo[2.2.0]hexa-1(4),2,5-triene
CID 175202039
(1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene
CID 143192924
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
1-methyl-3-octadecyl-1H-pyrrol-1-ium bromide
CID 135368716
2-decyl-3,4,5-trimethylphenol
CID 151136943

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-methylcycloocta-1,3,5,7-tetraene?
The IUPAC name of 1-hexyl-4-methylcycloocta-1,3,5,7-tetraene (CID 123846771) is 1-hexyl-4-methylcycloocta-1,3,5,7-tetraene.
What is the SMILES notation for 1-hexyl-4-methylcycloocta-1,3,5,7-tetraene?
The canonical SMILES for 1-hexyl-4-methylcycloocta-1,3,5,7-tetraene is CCCCCCC1=CC=C(C)C=CC=C1.
What is the InChIKey of 1-hexyl-4-methylcycloocta-1,3,5,7-tetraene?
The InChIKey is OCIPZQRYPKCRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-3-4-5-6-10-15-11-8-7-9-14(2)12-13-15/h7-9,11-13H,3-6,10H2,1-2H3.
What are the key properties of 1-hexyl-4-methylcycloocta-1,3,5,7-tetraene?
1-hexyl-4-methylcycloocta-1,3,5,7-tetraene has a molecular weight of 202.34 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-methylcycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 123846771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).