6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene

C24H30 — CID 123992620

IUPAC6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene
SMILESC=C1C=CC(C(C)CC=CCc2ccc(C)cc2)=CC1CC=CC
InChIInChI=1S/C24H30/c1-5-6-11-23-18-24(17-14-21(23)4)20(3)9-7-8-10-22-15-12-19(2)13-16-22/h5-8,12-18,20,23H,4,9-11H2,1-3H3
InChIKeyKZMVBWHRVHWSLO-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.75
Rot. Bonds7

About 6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene

6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene (PubChem CID 123992620) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene
PubChem CID123992620
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene
SMILESC=C1C=CC(C(C)CC=CCc2ccc(C)cc2)=CC1CC=CC
InChIInChI=1S/C24H30/c1-5-6-11-23-18-24(17-14-21(23)4)20(3)9-7-8-10-22-15-12-19(2)13-16-22/h5-8,12-18,20,23H,4,9-11H2,1-3H3
InChIKeyKZMVBWHRVHWSLO-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene?
The IUPAC name of 6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene (CID 123992620) is 6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene?
The canonical SMILES for 6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene is C=C1C=CC(C(C)CC=CCc2ccc(C)cc2)=CC1CC=CC.
What is the InChIKey of 6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene?
The InChIKey is KZMVBWHRVHWSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-5-6-11-23-18-24(17-14-21(23)4)20(3)9-7-8-10-22-15-12-19(2)13-16-22/h5-8,12-18,20,23H,4,9-11H2,1-3H3.
What are the key properties of 6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene?
6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene has a molecular weight of 318.50 g/mol, XLogP of 6.75, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-enyl-5-methylidene-2-[6-(4-methylphenyl)hex-4-en-2-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 123992620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).