(2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one

C11H18O2 — CID 89910737

IUPAC(2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one
SMILESCCC1(CCC(=O)/C(=C\OC)/C1)C
InChIInChI=1S/C11H18O2/c1-4-11(2)6-5-10(12)9(7-11)8-13-3/h8H,4-7H2,1-3H3/b9-8-
InChIKeyUIXQRMLLFFMCTF-HJWRWDBZSA-N
MW182.26 g/mol
LogP2.30
Rot. Bonds2

About (2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one

(2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one (PubChem CID 89910737) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one
PubChem CID89910737
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one
SMILESCCC1(CCC(=O)/C(=C\OC)/C1)C
InChIInChI=1S/C11H18O2/c1-4-11(2)6-5-10(12)9(7-11)8-13-3/h8H,4-7H2,1-3H3/b9-8-
InChIKeyUIXQRMLLFFMCTF-HJWRWDBZSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity230

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one?
The IUPAC name of (2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one (CID 89910737) is (2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one.
What is the SMILES notation for (2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one?
The canonical SMILES for (2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one is CCC1(CCC(=O)/C(=C\OC)/C1)C.
What is the InChIKey of (2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one?
The InChIKey is UIXQRMLLFFMCTF-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-11(2)6-5-10(12)9(7-11)8-13-3/h8H,4-7H2,1-3H3/b9-8-.
What are the key properties of (2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one?
(2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one is sourced from PubChem (CID 89910737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).