(4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one

C11H12O — CID 6111564

IUPAC(4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one
SMILESC=C(C)/C=C1/C=CC(=O)C(C)=C1
InChIInChI=1S/C11H12O/c1-8(2)6-10-4-5-11(12)9(3)7-10/h4-7H,1H2,2-3H3/b10-6-
InChIKeyURRXOUHZIHBLGJ-POHAHGRESA-N
MW160.22 g/mol
LogP2.57
Rot. Bonds1

About (4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one

(4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one (PubChem CID 6111564) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one
PubChem CID6111564
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one
SMILESC=C(C)/C=C1/C=CC(=O)C(C)=C1
InChIInChI=1S/C11H12O/c1-8(2)6-10-4-5-11(12)9(3)7-10/h4-7H,1H2,2-3H3/b10-6-
InChIKeyURRXOUHZIHBLGJ-POHAHGRESA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one?
The IUPAC name of (4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one (CID 6111564) is (4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one?
The canonical SMILES for (4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one is C=C(C)/C=C1/C=CC(=O)C(C)=C1.
What is the InChIKey of (4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one?
The InChIKey is URRXOUHZIHBLGJ-POHAHGRESA-N. The full InChI is InChI=1S/C11H12O/c1-8(2)6-10-4-5-11(12)9(3)7-10/h4-7H,1H2,2-3H3/b10-6-.
What are the key properties of (4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one?
(4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one has a molecular weight of 160.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 6111564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).