methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate

C11H18O2 — CID 22862396

IUPACmethyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
SMILESCOC(=O)/C(C)=C\C1CCCCC1
InChIInChI=1S/C11H18O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyLZHFJNNMSWPSNQ-HJWRWDBZSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds2

About methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate

methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate (PubChem CID 22862396) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
PubChem CID22862396
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
SMILESCOC(=O)/C(C)=C\C1CCCCC1
InChIInChI=1S/C11H18O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyLZHFJNNMSWPSNQ-HJWRWDBZSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
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

cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate
CID 57027982
methyl 2,3-dicyclopentylprop-2-enoate
CID 57152498
(E)-3-cyclohexyl-2-methylprop-2-enoate
CID 21225952
methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate
CID 69182024
butyl 3-cyclohexyl-2-methylprop-2-enoate
CID 67443261
2-(2-methylprop-2-enoyloxy)ethyl 3-cyclohexyl-2-methylprop-2-enoate
CID 174865636
butyl (E)-3-cyclohexyl-2-methylprop-2-enoate
CID 87402631
tert-butyl 3-cyclohexyl-2-methylprop-2-enoate;prop-2-enoic acid
CID 174857301
S-cyclopentyl 3-cyclopentyl-2-methylprop-2-enethioate
CID 91053037
(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid
CID 67876019
tert-butyl 3-cyclohexyl-2-methylprop-2-enoate;tert-butyl 2-cyclohexylprop-2-enoate
CID 155169215
methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate
CID 70462096

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate?
The IUPAC name of methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate (CID 22862396) is methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate?
The canonical SMILES for methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate is COC(=O)/C(C)=C\C1CCCCC1.
What is the InChIKey of methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate?
The InChIKey is LZHFJNNMSWPSNQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3/b9-8-.
What are the key properties of methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate?
methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate is sourced from PubChem (CID 22862396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).