(2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one

C10H16O — CID 151973447

IUPAC(2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one
SMILESC/C=C1\CC(C)C(C)CC1=O
InChIInChI=1S/C10H16O/c1-4-9-5-7(2)8(3)6-10(9)11/h4,7-8H,5-6H2,1-3H3/b9-4+
InChIKeyUBDVHUCXWZCAIJ-RUDMXATFSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds

About (2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one

(2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one (PubChem CID 151973447) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one
PubChem CID151973447
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one
SMILESC/C=C1\CC(C)C(C)CC1=O
InChIInChI=1S/C10H16O/c1-4-9-5-7(2)8(3)6-10(9)11/h4,7-8H,5-6H2,1-3H3/b9-4+
InChIKeyUBDVHUCXWZCAIJ-RUDMXATFSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one?
The IUPAC name of (2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one (CID 151973447) is (2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one.
What is the SMILES notation for (2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one?
The canonical SMILES for (2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one is C/C=C1\CC(C)C(C)CC1=O.
What is the InChIKey of (2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one?
The InChIKey is UBDVHUCXWZCAIJ-RUDMXATFSA-N. The full InChI is InChI=1S/C10H16O/c1-4-9-5-7(2)8(3)6-10(9)11/h4,7-8H,5-6H2,1-3H3/b9-4+.
What are the key properties of (2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one?
(2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-4,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 151973447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).