(Z)-3-cyclohexyl-2-ethylbut-2-enoic acid

C12H20O2 — CID 165441204

IUPAC(Z)-3-cyclohexyl-2-ethylbut-2-enoic acid
SMILESCC/C(C(=O)O)=C(\C)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-3-11(12(13)14)9(2)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,13,14)/b11-9-
InChIKeyCQJSKURUYCJXFP-LUAWRHEFSA-N
MW196.29 g/mol
LogP3.38
Rot. Bonds3

About (Z)-3-cyclohexyl-2-ethylbut-2-enoic acid

(Z)-3-cyclohexyl-2-ethylbut-2-enoic acid (PubChem CID 165441204) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (Z)-3-cyclohexyl-2-ethylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-cyclohexyl-2-ethylbut-2-enoic acid
PubChem CID165441204
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(Z)-3-cyclohexyl-2-ethylbut-2-enoic acid
SMILESCC/C(C(=O)O)=C(\C)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-3-11(12(13)14)9(2)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,13,14)/b11-9-
InChIKeyCQJSKURUYCJXFP-LUAWRHEFSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(2-cyclohexyl-2-oxoethyl)-3-ethylbut-2-enedioate
CID 22289458
1-cyclopentylethanone;propane
CID 145026358
2-cyclohexyl-3-pentylbut-2-enedioic acid
CID 123802855
1-cycloheptylbutan-1-one
CID 54353743
3-amino-4-(cyclohexylcarbamoyloxy)-2-ethylbut-2-enoic acid
CID 70449567
2-cyclohexylpent-2-enoic acid
CID 67108594
cyclohexyl(triethylsilyl)methanone
CID 15093454
3-cyclohexyl-2-methylbut-2-enamide
CID 70347736
2-cyclododecyl-2-oxoacetic acid
CID 20976833
3-cyclohexyl-2-methylpent-2-enethioic S-acid
CID 54517934
disodium;2-cyclopentyl-3-ethylbut-2-enedioate
CID 73230637
(E)-2-(2-cyclohexyl-2-oxoethyl)-3-(2-ethoxyethyl)but-2-enedioic acid
CID 22289259

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclohexyl-2-ethylbut-2-enoic acid?
The IUPAC name of (Z)-3-cyclohexyl-2-ethylbut-2-enoic acid (CID 165441204) is (Z)-3-cyclohexyl-2-ethylbut-2-enoic acid.
What is the SMILES notation for (Z)-3-cyclohexyl-2-ethylbut-2-enoic acid?
The canonical SMILES for (Z)-3-cyclohexyl-2-ethylbut-2-enoic acid is CC/C(C(=O)O)=C(\C)C1CCCCC1.
What is the InChIKey of (Z)-3-cyclohexyl-2-ethylbut-2-enoic acid?
The InChIKey is CQJSKURUYCJXFP-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-11(12(13)14)9(2)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,13,14)/b11-9-.
What are the key properties of (Z)-3-cyclohexyl-2-ethylbut-2-enoic acid?
(Z)-3-cyclohexyl-2-ethylbut-2-enoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclohexyl-2-ethylbut-2-enoic acid is sourced from PubChem (CID 165441204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).