(E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one

C15H24O — CID 23338005

IUPAC(E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one
SMILESC/C=C(\C)C(=O)C1C(C)=CCCC1(C)CC
InChIInChI=1S/C15H24O/c1-6-11(3)14(16)13-12(4)9-8-10-15(13,5)7-2/h6,9,13H,7-8,10H2,1-5H3/b11-6+
InChIKeyWGUURNMSZHFIIW-IZZDOVSWSA-N
MW220.36 g/mol
LogP4.29
Rot. Bonds3

About (E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one

(E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one (PubChem CID 23338005) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one
PubChem CID23338005
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one
SMILESC/C=C(\C)C(=O)C1C(C)=CCCC1(C)CC
InChIInChI=1S/C15H24O/c1-6-11(3)14(16)13-12(4)9-8-10-15(13,5)7-2/h6,9,13H,7-8,10H2,1-5H3/b11-6+
InChIKeyWGUURNMSZHFIIW-IZZDOVSWSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethyl-2-methyl-6-methylidenecyclohexyl)-2-methylbut-2-en-1-one
CID 57120529
3-butylsulfanyl-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)butan-1-one
CID 143043255
(E)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-2-en-1-one
CID 134872489
2,6,6-trimethylcyclohex-2-ene-1-carbothioate
CID 19867145
2,6,6-trimethylcyclohex-2-ene-1-carbonyl chloride
CID 14042479
3-methyl-2-oxo-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal
CID 141222182
6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-en-3-one
CID 54456992
1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium
CID 76764090
1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
CID 57134465
4-hydroxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
CID 11042032
6-ethyl-1,5,5-trimethylcyclohexene
CID 143426424
2-[(2,6,6-trimethylcyclohex-2-en-1-yl)methylidene]hexanoic acid
CID 66632011

Frequently Asked Questions

What is the IUPAC name of (E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one?
The IUPAC name of (E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one (CID 23338005) is (E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one.
What is the SMILES notation for (E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one?
The canonical SMILES for (E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one is C/C=C(\C)C(=O)C1C(C)=CCCC1(C)CC.
What is the InChIKey of (E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one?
The InChIKey is WGUURNMSZHFIIW-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H24O/c1-6-11(3)14(16)13-12(4)9-8-10-15(13,5)7-2/h6,9,13H,7-8,10H2,1-5H3/b11-6+.
What are the key properties of (E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one?
(E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one has a molecular weight of 220.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(6-ethyl-2,6-dimethylcyclohex-2-en-1-yl)-2-methylbut-2-en-1-one is sourced from PubChem (CID 23338005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).