methyl (2R)-2-cyclohexyl-2-methylbut-3-enoate

C12H20O2 — CID 102147708

IUPACmethyl (2R)-2-cyclohexyl-2-methylbut-3-enoate
SMILESC=C[C@@](C)(C(=O)OC)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-4-12(2,11(13)14-3)10-8-6-5-7-9-10/h4,10H,1,5-9H2,2-3H3/t12-/m1/s1
InChIKeyBXDDHVABZOUVSU-GFCCVEGCSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds3

About methyl (2R)-2-cyclohexyl-2-methylbut-3-enoate

methyl (2R)-2-cyclohexyl-2-methylbut-3-enoate (PubChem CID 102147708) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is methyl (2R)-2-cyclohexyl-2-methylbut-3-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-cyclohexyl-2-methylbut-3-enoate
PubChem CID102147708
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namemethyl (2R)-2-cyclohexyl-2-methylbut-3-enoate
SMILESC=C[C@@](C)(C(=O)OC)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-4-12(2,11(13)14-3)10-8-6-5-7-9-10/h4,10H,1,5-9H2,2-3H3/t12-/m1/s1
InChIKeyBXDDHVABZOUVSU-GFCCVEGCSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanecarboxylic acid, 2,2-dimethyl-6-methylene-, methyl ester
CID 11095260
Methyl 1-allylcyclohexanecarboxylate
CID 10932067
Methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate
CID 13096503
methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate
CID 56595630
Cyclohexaneacetic acid, 1-ethenyl-, ethyl ester
CID 11535746
4-Tert-butyl-1-ethenylcyclohexane-1-carboxylic acid
CID 358273
Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 4-methyl-1-(1-methylethyl)-, methyl ester
CID 106942
Ethyl 1-ethenyl-4,4-difluorocyclohexane-1-carboxylate
CID 89949713
methyl (3R,4R,5R,6S)-3-tert-butyl-2-(2-fluoroethenyl)-4,5,6-trimethyloctanoate
CID 173719240
(3,6,6-Trimethylcyclohex-2-enyl)acetic acid, methyl ester
CID 557298
9-Decenoic acid, 2,4-dimethyl-, methyl ester, (2S,4R)-(+)-
CID 560343
Ethyl 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetate
CID 10058967

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-cyclohexyl-2-methylbut-3-enoate?
The IUPAC name of methyl (2R)-2-cyclohexyl-2-methylbut-3-enoate (CID 102147708) is methyl (2R)-2-cyclohexyl-2-methylbut-3-enoate.
What is the SMILES notation for methyl (2R)-2-cyclohexyl-2-methylbut-3-enoate?
The canonical SMILES for methyl (2R)-2-cyclohexyl-2-methylbut-3-enoate is C=C[C@@](C)(C(=O)OC)C1CCCCC1.
What is the InChIKey of methyl (2R)-2-cyclohexyl-2-methylbut-3-enoate?
The InChIKey is BXDDHVABZOUVSU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-12(2,11(13)14-3)10-8-6-5-7-9-10/h4,10H,1,5-9H2,2-3H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-cyclohexyl-2-methylbut-3-enoate?
methyl (2R)-2-cyclohexyl-2-methylbut-3-enoate has a molecular weight of 196.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-cyclohexyl-2-methylbut-3-enoate is sourced from PubChem (CID 102147708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).