(2Z)-2-(ethoxymethylidene)cyclohexan-1-one

C9H14O2 — CID 12670641

IUPAC(2Z)-2-(ethoxymethylidene)cyclohexan-1-one
SMILESCCO/C=C1/CCCCC1=O
InChIInChI=1S/C9H14O2/c1-2-11-7-8-5-3-4-6-9(8)10/h7H,2-6H2,1H3/b8-7-
InChIKeyWWMTWPZYVBEPOX-FPLPWBNLSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

About (2Z)-2-(ethoxymethylidene)cyclohexan-1-one

(2Z)-2-(ethoxymethylidene)cyclohexan-1-one (PubChem CID 12670641) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2Z)-2-(ethoxymethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-(ethoxymethylidene)cyclohexan-1-one
PubChem CID12670641
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2Z)-2-(ethoxymethylidene)cyclohexan-1-one
SMILESCCO/C=C1/CCCCC1=O
InChIInChI=1S/C9H14O2/c1-2-11-7-8-5-3-4-6-9(8)10/h7H,2-6H2,1H3/b8-7-
InChIKeyWWMTWPZYVBEPOX-FPLPWBNLSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
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)-2-(ethoxymethylidene)cyclohexan-1-one?
The IUPAC name of (2Z)-2-(ethoxymethylidene)cyclohexan-1-one (CID 12670641) is (2Z)-2-(ethoxymethylidene)cyclohexan-1-one.
What is the SMILES notation for (2Z)-2-(ethoxymethylidene)cyclohexan-1-one?
The canonical SMILES for (2Z)-2-(ethoxymethylidene)cyclohexan-1-one is CCO/C=C1/CCCCC1=O.
What is the InChIKey of (2Z)-2-(ethoxymethylidene)cyclohexan-1-one?
The InChIKey is WWMTWPZYVBEPOX-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-7-8-5-3-4-6-9(8)10/h7H,2-6H2,1H3/b8-7-.
What are the key properties of (2Z)-2-(ethoxymethylidene)cyclohexan-1-one?
(2Z)-2-(ethoxymethylidene)cyclohexan-1-one has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(ethoxymethylidene)cyclohexan-1-one is sourced from PubChem (CID 12670641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).