6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one

C15H24O — CID 5315607

IUPAC6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one
SMILESC=C(C)CCC1=C(C(C)C)CCC(C)C1=O
InChIInChI=1S/C15H24O/c1-10(2)6-8-14-13(11(3)4)9-7-12(5)15(14)16/h11-12H,1,6-9H2,2-5H3
InChIKeyGPXJKVFRKZAYCC-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.29
Rot. Bonds4

About 6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one

6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one (PubChem CID 5315607) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one
PubChem CID5315607
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one
SMILESC=C(C)CCC1=C(C(C)C)CCC(C)C1=O
InChIInChI=1S/C15H24O/c1-10(2)6-8-14-13(11(3)4)9-7-12(5)15(14)16/h11-12H,1,6-9H2,2-5H3
InChIKeyGPXJKVFRKZAYCC-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.29
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 6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one?
The IUPAC name of 6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one (CID 5315607) is 6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one is C=C(C)CCC1=C(C(C)C)CCC(C)C1=O.
What is the InChIKey of 6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one?
The InChIKey is GPXJKVFRKZAYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)6-8-14-13(11(3)4)9-7-12(5)15(14)16/h11-12H,1,6-9H2,2-5H3.
What are the key properties of 6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one?
6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one has a molecular weight of 220.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylbut-3-enyl)-3-propan-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 5315607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).