ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate

C11H18O3 — CID 130360758

IUPACethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC/C(=C/OC)C1
InChIInChI=1S/C11H18O3/c1-3-14-11(12)10-6-4-5-9(7-10)8-13-2/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyVUYCEXSMWMZWAM-HJWRWDBZSA-N
MW198.26 g/mol
LogP2.27
Rot. Bonds3

About ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate

ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate (PubChem CID 130360758) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate
PubChem CID130360758
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC/C(=C/OC)C1
InChIInChI=1S/C11H18O3/c1-3-14-11(12)10-6-4-5-9(7-10)8-13-2/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyVUYCEXSMWMZWAM-HJWRWDBZSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1R)-3-oxocyclohexane-1-carboxylate
CID 6933063
ethyl 3-(oxomethylidene)cyclohexane-1-carboxylate
CID 137364089
(2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid
CID 70300017
ethyl cyclobutanecarboxylate;formic acid
CID 158508137
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
ethyl (3E)-3-ethylidene-4-oxocyclodecane-1-carboxylate
CID 5470128
ethyl 4-propylidenecyclohexane-1-carboxylate
CID 123984954
1-O-ethyl 3-O-methyl cyclohexane-1,3-dicarboxylate
CID 66983859
ethyl 9-oxoazonane-5-carboxylate
CID 15644040
2-O-tert-butyl 1-O-ethyl (1R,4aR,6E,8aR)-6-(methoxymethylidene)-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-1,2-dicarboxylate
CID 10594230
ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate
CID 70850765
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802

Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate?
The IUPAC name of ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate (CID 130360758) is ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate is CCOC(=O)C1CCC/C(=C/OC)C1.
What is the InChIKey of ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate?
The InChIKey is VUYCEXSMWMZWAM-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-14-11(12)10-6-4-5-9(7-10)8-13-2/h8,10H,3-7H2,1-2H3/b9-8-.
What are the key properties of ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate?
ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate has a molecular weight of 198.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3-(methoxymethylidene)cyclohexane-1-carboxylate is sourced from PubChem (CID 130360758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).