1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one

C15H24O — CID 177042654

IUPAC1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one
SMILESC=CCCC(=O)C1=C(C)CCC(C(C)C)C1
InChIInChI=1S/C15H24O/c1-5-6-7-15(16)14-10-13(11(2)3)9-8-12(14)4/h5,11,13H,1,6-10H2,2-4H3
InChIKeyJFCVEEDYOLYXCQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.29
Rot. Bonds5

About 1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one

1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one (PubChem CID 177042654) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one
PubChem CID177042654
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one
SMILESC=CCCC(=O)C1=C(C)CCC(C(C)C)C1
InChIInChI=1S/C15H24O/c1-5-6-7-15(16)14-10-13(11(2)3)9-8-12(14)4/h5,11,13H,1,6-10H2,2-4H3
InChIKeyJFCVEEDYOLYXCQ-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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 1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one?
The IUPAC name of 1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one (CID 177042654) is 1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one.
What is the SMILES notation for 1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one?
The canonical SMILES for 1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one is C=CCCC(=O)C1=C(C)CCC(C(C)C)C1.
What is the InChIKey of 1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one?
The InChIKey is JFCVEEDYOLYXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-6-7-15(16)14-10-13(11(2)3)9-8-12(14)4/h5,11,13H,1,6-10H2,2-4H3.
What are the key properties of 1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one?
1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one has a molecular weight of 220.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one is sourced from PubChem (CID 177042654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).