(4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one

C11H16O — CID 14759603

IUPAC(4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one
SMILESC/C=C1\C(C)=CC(=O)CC1(C)C
InChIInChI=1S/C11H16O/c1-5-10-8(2)6-9(12)7-11(10,3)4/h5-6H,7H2,1-4H3/b10-5+
InChIKeyXFTQAVYYHITIQO-BJMVGYQFSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds

About (4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one

(4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one (PubChem CID 14759603) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one
PubChem CID14759603
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one
SMILESC/C=C1\C(C)=CC(=O)CC1(C)C
InChIInChI=1S/C11H16O/c1-5-10-8(2)6-9(12)7-11(10,3)4/h5-6H,7H2,1-4H3/b10-5+
InChIKeyXFTQAVYYHITIQO-BJMVGYQFSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one?
The IUPAC name of (4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one (CID 14759603) is (4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for (4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one?
The canonical SMILES for (4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one is C/C=C1\C(C)=CC(=O)CC1(C)C.
What is the InChIKey of (4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one?
The InChIKey is XFTQAVYYHITIQO-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H16O/c1-5-10-8(2)6-9(12)7-11(10,3)4/h5-6H,7H2,1-4H3/b10-5+.
What are the key properties of (4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one?
(4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one has a molecular weight of 164.25 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-3,5,5-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 14759603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).