methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone

C24H38O — CID 143976180

IUPACmethylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone
SMILESC=CCC(Cc1cc(C(C)=O)ccc1C)C(C)C.CC1CCCCC1
InChIInChI=1S/C17H24O.C7H14/c1-6-7-15(12(2)3)10-17-11-16(14(5)18)9-8-13(17)4;1-7-5-3-2-4-6-7/h6,8-9,11-12,15H,1,7,10H2,2-5H3;7H,2-6H2,1H3
InChIKeyMKJPLZPWKZNXQY-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.18
Rot. Bonds6

About methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone

methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone (PubChem CID 143976180) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone.

Molecular Properties

Compound Namemethylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone
PubChem CID143976180
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Namemethylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone
SMILESC=CCC(Cc1cc(C(C)=O)ccc1C)C(C)C.CC1CCCCC1
InChIInChI=1S/C17H24O.C7H14/c1-6-7-15(12(2)3)10-17-11-16(14(5)18)9-8-13(17)4;1-7-5-3-2-4-6-7/h6,8-9,11-12,15H,1,7,10H2,2-5H3;7H,2-6H2,1H3
InChIKeyMKJPLZPWKZNXQY-UHFFFAOYSA-N
XLogP7.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone?
The IUPAC name of methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone (CID 143976180) is methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone.
What is the SMILES notation for methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone?
The canonical SMILES for methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone is C=CCC(Cc1cc(C(C)=O)ccc1C)C(C)C.CC1CCCCC1.
What is the InChIKey of methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone?
The InChIKey is MKJPLZPWKZNXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O.C7H14/c1-6-7-15(12(2)3)10-17-11-16(14(5)18)9-8-13(17)4;1-7-5-3-2-4-6-7/h6,8-9,11-12,15H,1,7,10H2,2-5H3;7H,2-6H2,1H3.
What are the key properties of methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone?
methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone has a molecular weight of 342.57 g/mol, XLogP of 7.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;1-[4-methyl-3-(2-propan-2-ylpent-4-enyl)phenyl]ethanone is sourced from PubChem (CID 143976180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).