1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene

C15H22 — CID 163877392

IUPAC1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene
SMILESCC1C=CC(C(C)C2=CC=CCC2)CC1
InChIInChI=1S/C15H22/c1-12-8-10-15(11-9-12)13(2)14-6-4-3-5-7-14/h3-4,6,8,10,12-13,15H,5,7,9,11H2,1-2H3
InChIKeyPQCNVMNWHVHVOR-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.50
Rot. Bonds2

About 1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene

1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene (PubChem CID 163877392) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene
PubChem CID163877392
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene
SMILESCC1C=CC(C(C)C2=CC=CCC2)CC1
InChIInChI=1S/C15H22/c1-12-8-10-15(11-9-12)13(2)14-6-4-3-5-7-14/h3-4,6,8,10,12-13,15H,5,7,9,11H2,1-2H3
InChIKeyPQCNVMNWHVHVOR-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.50
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

1-[(2R)-1-bromopropan-2-yl]cyclohexa-1,3-diene
CID 10921559
3-cyclohexa-1,3-dien-1-ylbutan-1-ol
CID 123563743
2-cyclohexa-1,3-dien-1-ylpropan-1-ol
CID 118601022
2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylethanamine
CID 90918343
2-[1-cyclohexa-1,3-dien-1-yl-3-[di(propan-2-yl)amino]propyl]-4-methylcyclohex-2-en-1-one
CID 90886620
1-cyclohexa-1,3-dien-1-yl-2-methoxyethanol
CID 173164220
1-cyclohexa-1,3-dien-1-ylethylbenzene;osmium
CID 145295082
1-(2,2-dimethylpentan-3-yl)cyclohexa-1,3-diene;ethane
CID 172627544
CID 89128615
CID 89128615
1-propan-2-ylcyclohepta-1,3-diene
CID 20800715
1-cyclohexa-1,3-dien-1-yl-2-(trimethyl-λ4-sulfanyl)ethanol
CID 123682573
1-bromocyclohexa-1,3-diene;ethane
CID 142165944

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene?
The IUPAC name of 1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene (CID 163877392) is 1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene?
The canonical SMILES for 1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene is CC1C=CC(C(C)C2=CC=CCC2)CC1.
What is the InChIKey of 1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene?
The InChIKey is PQCNVMNWHVHVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-12-8-10-15(11-9-12)13(2)14-6-4-3-5-7-14/h3-4,6,8,10,12-13,15H,5,7,9,11H2,1-2H3.
What are the key properties of 1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene?
1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene has a molecular weight of 202.34 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylcyclohex-2-en-1-yl)ethyl]cyclohexa-1,3-diene is sourced from PubChem (CID 163877392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).