6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one

C15H24O — CID 54456992

IUPAC6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one
SMILESCCC(=O)CC=CC1C(C)=CCCC1(C)C
InChIInChI=1S/C15H24O/c1-5-13(16)9-6-10-14-12(2)8-7-11-15(14,3)4/h6,8,10,14H,5,7,9,11H2,1-4H3
InChIKeyWYWWMZHZEVSMLO-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.29
Rot. Bonds4

About 6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one

6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one (PubChem CID 54456992) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one.

Molecular Properties

Compound Name6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one
PubChem CID54456992
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one
SMILESCCC(=O)CC=CC1C(C)=CCCC1(C)C
InChIInChI=1S/C15H24O/c1-5-13(16)9-6-10-14-12(2)8-7-11-15(14,3)4/h6,8,10,14H,5,7,9,11H2,1-4H3
InChIKeyWYWWMZHZEVSMLO-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-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one?
The IUPAC name of 6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one (CID 54456992) is 6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one.
What is the SMILES notation for 6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one?
The canonical SMILES for 6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one is CCC(=O)CC=CC1C(C)=CCCC1(C)C.
What is the InChIKey of 6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one?
The InChIKey is WYWWMZHZEVSMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-13(16)9-6-10-14-12(2)8-7-11-15(14,3)4/h6,8,10,14H,5,7,9,11H2,1-4H3.
What are the key properties of 6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one?
6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-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-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one is sourced from PubChem (CID 54456992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).