butyl (E)-3-cyclohexyl-2-methylprop-2-enoate

C14H24O2 — CID 87402631

IUPACbutyl (E)-3-cyclohexyl-2-methylprop-2-enoate
SMILESCCCCOC(=O)/C(C)=C/C1CCCCC1
InChIInChI=1S/C14H24O2/c1-3-4-10-16-14(15)12(2)11-13-8-6-5-7-9-13/h11,13H,3-10H2,1-2H3/b12-11+
InChIKeyAABLWJWFXKSNCA-VAWYXSNFSA-N
MW224.34 g/mol
LogP3.86
Rot. Bonds5

About butyl (E)-3-cyclohexyl-2-methylprop-2-enoate

butyl (E)-3-cyclohexyl-2-methylprop-2-enoate (PubChem CID 87402631) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is butyl (E)-3-cyclohexyl-2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl (E)-3-cyclohexyl-2-methylprop-2-enoate
PubChem CID87402631
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namebutyl (E)-3-cyclohexyl-2-methylprop-2-enoate
SMILESCCCCOC(=O)/C(C)=C/C1CCCCC1
InChIInChI=1S/C14H24O2/c1-3-4-10-16-14(15)12(2)11-13-8-6-5-7-9-13/h11,13H,3-10H2,1-2H3/b12-11+
InChIKeyAABLWJWFXKSNCA-VAWYXSNFSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl 3-cyclohexyl-2-methylprop-2-enoate
CID 67443261
dibutyl 2-(cyclopentylmethylidene)propanedioate
CID 90311475
2-(2-methylprop-2-enoyloxy)ethyl 3-cyclohexyl-2-methylprop-2-enoate
CID 174865636
butyl 3-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-1-yl)-2-methylprop-2-enoate
CID 175495234
methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
CID 22862396
cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate
CID 57027982
butyl 3-hydroxy-2-methylprop-2-enoate
CID 141127491
ethyl (2E)-2-(cyclohexylmethylidene)hexanoate
CID 10752447
butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate
CID 142685966
propyl 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2-methylprop-2-enoate
CID 175495239
2-O-cyclohexyl 1-O-hexyl oxalate
CID 6421307
acetic acid;dibutyl oxalate
CID 175057200

Frequently Asked Questions

What is the IUPAC name of butyl (E)-3-cyclohexyl-2-methylprop-2-enoate?
The IUPAC name of butyl (E)-3-cyclohexyl-2-methylprop-2-enoate (CID 87402631) is butyl (E)-3-cyclohexyl-2-methylprop-2-enoate.
What is the SMILES notation for butyl (E)-3-cyclohexyl-2-methylprop-2-enoate?
The canonical SMILES for butyl (E)-3-cyclohexyl-2-methylprop-2-enoate is CCCCOC(=O)/C(C)=C/C1CCCCC1.
What is the InChIKey of butyl (E)-3-cyclohexyl-2-methylprop-2-enoate?
The InChIKey is AABLWJWFXKSNCA-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-4-10-16-14(15)12(2)11-13-8-6-5-7-9-13/h11,13H,3-10H2,1-2H3/b12-11+.
What are the key properties of butyl (E)-3-cyclohexyl-2-methylprop-2-enoate?
butyl (E)-3-cyclohexyl-2-methylprop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (E)-3-cyclohexyl-2-methylprop-2-enoate is sourced from PubChem (CID 87402631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).