5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one

C13H20O — CID 66981005

IUPAC5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one
SMILESCC(=O)CC=CC1=CCCC(C)(C)C1
InChIInChI=1S/C13H20O/c1-11(14)6-4-7-12-8-5-9-13(2,3)10-12/h4,7-8H,5-6,9-10H2,1-3H3
InChIKeyFLVDMGWPJGSMNY-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.66
Rot. Bonds3

About 5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one

5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one (PubChem CID 66981005) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one.

Molecular Properties

Compound Name5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one
PubChem CID66981005
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one
SMILESCC(=O)CC=CC1=CCCC(C)(C)C1
InChIInChI=1S/C13H20O/c1-11(14)6-4-7-12-8-5-9-13(2,3)10-12/h4,7-8H,5-6,9-10H2,1-3H3
InChIKeyFLVDMGWPJGSMNY-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one?
The IUPAC name of 5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one (CID 66981005) is 5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one.
What is the SMILES notation for 5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one?
The canonical SMILES for 5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one is CC(=O)CC=CC1=CCCC(C)(C)C1.
What is the InChIKey of 5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one?
The InChIKey is FLVDMGWPJGSMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-11(14)6-4-7-12-8-5-9-13(2,3)10-12/h4,7-8H,5-6,9-10H2,1-3H3.
What are the key properties of 5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one?
5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one has a molecular weight of 192.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5-dimethylcyclohexen-1-yl)pent-4-en-2-one is sourced from PubChem (CID 66981005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).