ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate

C16H26O2 — CID 142734563

IUPACethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate
SMILESC=COC(=O)/C(C)=C/C1CCCCC1CCCC
InChIInChI=1S/C16H26O2/c1-4-6-9-14-10-7-8-11-15(14)12-13(3)16(17)18-5-2/h5,12,14-15H,2,4,6-11H2,1,3H3/b13-12+
InChIKeyUPQDKOILKBWQHF-OUKQBFOZSA-N
MW250.38 g/mol
LogP4.62
Rot. Bonds6

About ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate

ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate (PubChem CID 142734563) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate
PubChem CID142734563
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Nameethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate
SMILESC=COC(=O)/C(C)=C/C1CCCCC1CCCC
InChIInChI=1S/C16H26O2/c1-4-6-9-14-10-7-8-11-15(14)12-13(3)16(17)18-5-2/h5,12,14-15H,2,4,6-11H2,1,3H3/b13-12+
InChIKeyUPQDKOILKBWQHF-OUKQBFOZSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde
CID 131854449
(E)-3-(2-ethylcyclooctyl)-2-methylprop-2-enoic acid
CID 140579937
1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one
CID 170057858
butyl 3-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-1-yl)-2-methylprop-2-enoate
CID 175495234
(2-octadecylcyclohexyl) 2-methylprop-2-enoate
CID 141237308
propyl 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2-methylprop-2-enoate
CID 175495239
butyl 3-cyclohexyl-2-methylprop-2-enoate
CID 67443261
butyl (E)-3-cyclohexyl-2-methylprop-2-enoate
CID 87402631
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
2-(2-butylcyclohexyl)prop-2-enoic acid
CID 91543780
ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate
CID 175355413
ethenyl acetate;octadecane
CID 161470611

Frequently Asked Questions

What is the IUPAC name of ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate?
The IUPAC name of ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate (CID 142734563) is ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate.
What is the SMILES notation for ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate?
The canonical SMILES for ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate is C=COC(=O)/C(C)=C/C1CCCCC1CCCC.
What is the InChIKey of ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate?
The InChIKey is UPQDKOILKBWQHF-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-6-9-14-10-7-8-11-15(14)12-13(3)16(17)18-5-2/h5,12,14-15H,2,4,6-11H2,1,3H3/b13-12+.
What are the key properties of ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate?
ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate has a molecular weight of 250.38 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl (E)-3-(2-butylcyclohexyl)-2-methylprop-2-enoate is sourced from PubChem (CID 142734563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).