[1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate

C15H26O2 — CID 139892323

IUPAC[1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)(C)CC)CCCCC1
InChIInChI=1S/C15H26O2/c1-6-14(4,5)15(10-8-7-9-11-15)17-13(16)12(2)3/h2,6-11H2,1,3-5H3
InChIKeyJJGRWAAYXPFGOG-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.24
Rot. Bonds4

About [1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate

[1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 139892323) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate
PubChem CID139892323
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)(C)CC)CCCCC1
InChIInChI=1S/C15H26O2/c1-6-14(4,5)15(10-8-7-9-11-15)17-13(16)12(2)3/h2,6-11H2,1,3-5H3
InChIKeyJJGRWAAYXPFGOG-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.24
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

[1-(2-methylbutan-2-yl)cyclohexyl] 2-iodobutanoate
CID 126664053
[1,1,1,3,3,3-hexafluoro-2-[1-(2-methylprop-2-enoyloxy)cyclopentyl]propan-2-yl] 2,2-dimethylpropanoate
CID 118548747
[2-[1-(2-methylbutan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 158067621
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclohexyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 161454309
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
[1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate
CID 58995526
1,1-difluoro-2-[1,1,1,3,3,3-hexafluoro-2-[1-(2-methylprop-2-enoyloxy)cyclohexyl]propan-2-yl]oxy-2-oxoethanesulfonic acid
CID 121360604
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate
CID 58776795
(1,2-diethylcyclooctyl) 2-methylprop-2-enoate
CID 175495311
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate
CID 89027286
[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl] 2-methylprop-2-enoate
CID 58999843
[1-(3,3,4,4,4-pentafluorobutyl)cyclopentyl] 2-methylprop-2-enoate
CID 90250893

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate (CID 139892323) is [1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(C)(C)CC)CCCCC1.
What is the InChIKey of [1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is JJGRWAAYXPFGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-14(4,5)15(10-8-7-9-11-15)17-13(16)12(2)3/h2,6-11H2,1,3-5H3.
What are the key properties of [1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate?
[1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139892323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).