ethyl 4-cyclohexyl-2-methylidenebutanoate

C13H22O2 — CID 101255888

IUPACethyl 4-cyclohexyl-2-methylidenebutanoate
SMILESC=C(CCC1CCCCC1)C(=O)OCC
InChIInChI=1S/C13H22O2/c1-3-15-13(14)11(2)9-10-12-7-5-4-6-8-12/h12H,2-10H2,1H3
InChIKeyQOVKWYWIHNOPSC-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.47
Rot. Bonds5

About ethyl 4-cyclohexyl-2-methylidenebutanoate

ethyl 4-cyclohexyl-2-methylidenebutanoate (PubChem CID 101255888) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethyl 4-cyclohexyl-2-methylidenebutanoate.

Molecular Properties

Compound Nameethyl 4-cyclohexyl-2-methylidenebutanoate
PubChem CID101255888
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethyl 4-cyclohexyl-2-methylidenebutanoate
SMILESC=C(CCC1CCCCC1)C(=O)OCC
InChIInChI=1S/C13H22O2/c1-3-15-13(14)11(2)9-10-12-7-5-4-6-8-12/h12H,2-10H2,1H3
InChIKeyQOVKWYWIHNOPSC-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-cyclohexyl-2-methylidenepentanoate
CID 54419238
ethyl 2-methylidene-4-(7-oxabicyclo[4.1.0]heptan-3-yl)butanoate
CID 177481429
ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate
CID 66322359
ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate
CID 103265214
ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
CID 18370085
cyclopentylmethyl 2-methylidenebutanoate
CID 156770816
ethyl 2-methylidene-7-(3-oxocyclohexyl)heptanoate
CID 15054091
ethyl 2-cyclohexyloxyprop-2-enoate
CID 66651872
methyl 4-cyclohexyl-2-oxobutanoate
CID 102124215
ethyl 2-[(2-oxocycloheptyl)methyl]prop-2-enoate
CID 14784019
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
ethyl 6-cyclohexyl-3-oxohexanoate
CID 101146928

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclohexyl-2-methylidenebutanoate?
The IUPAC name of ethyl 4-cyclohexyl-2-methylidenebutanoate (CID 101255888) is ethyl 4-cyclohexyl-2-methylidenebutanoate.
What is the SMILES notation for ethyl 4-cyclohexyl-2-methylidenebutanoate?
The canonical SMILES for ethyl 4-cyclohexyl-2-methylidenebutanoate is C=C(CCC1CCCCC1)C(=O)OCC.
What is the InChIKey of ethyl 4-cyclohexyl-2-methylidenebutanoate?
The InChIKey is QOVKWYWIHNOPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-15-13(14)11(2)9-10-12-7-5-4-6-8-12/h12H,2-10H2,1H3.
What are the key properties of ethyl 4-cyclohexyl-2-methylidenebutanoate?
ethyl 4-cyclohexyl-2-methylidenebutanoate has a molecular weight of 210.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclohexyl-2-methylidenebutanoate is sourced from PubChem (CID 101255888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).