ethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate

C13H20O2 — CID 70603216

IUPACethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate
SMILESC/C=C1/C=CCC(C)(C)C1C(=O)OCC
InChIInChI=1S/C13H20O2/c1-5-10-8-7-9-13(3,4)11(10)12(14)15-6-2/h5,7-8,11H,6,9H2,1-4H3/b10-5-
InChIKeyDQULFYWMEOPFTK-YHYXMXQVSA-N
MW208.30 g/mol
LogP3.10
Rot. Bonds2

About ethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate

ethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate (PubChem CID 70603216) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate
PubChem CID70603216
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Nameethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate
SMILESC/C=C1/C=CCC(C)(C)C1C(=O)OCC
InChIInChI=1S/C13H20O2/c1-5-10-8-7-9-13(3,4)11(10)12(14)15-6-2/h5,7-8,11H,6,9H2,1-4H3/b10-5-
InChIKeyDQULFYWMEOPFTK-YHYXMXQVSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-hydroxy-2,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 21430990
ethyl 2,2-dimethyl-4-oxo-1-propan-2-ylazetidine-3-carboxylate
CID 11310404
ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate
CID 67339971
ethyl 2-oxo-6-[(E)-prop-1-enyl]cyclohex-3-ene-1-carboxylate
CID 14077422
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 1-[(Z)-but-2-enyl]-2-oxocyclopent-3-ene-1-carboxylate
CID 10750864
diethyl 2-methylcyclohex-3-ene-1,2-dicarboxylate
CID 57295600
ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate
CID 142858337
ethyl (1R)-2-oxocyclohex-3-ene-1-carboxylate
CID 134856361
(E)-1-(6-ethyl-2,6-dimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
CID 23338033
ethyl (1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
CID 101159544
ethyl 2-ethyl-6,6-dimethylcyclohexa-1,3-diene-1-carboxylate
CID 21328712

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate (CID 70603216) is ethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate is C/C=C1/C=CCC(C)(C)C1C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate?
The InChIKey is DQULFYWMEOPFTK-YHYXMXQVSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-10-8-7-9-13(3,4)11(10)12(14)15-6-2/h5,7-8,11H,6,9H2,1-4H3/b10-5-.
What are the key properties of ethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate?
ethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate has a molecular weight of 208.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-ethylidene-6,6-dimethylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 70603216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).