(1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate

C18H30O2 — CID 122533297

IUPAC(1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CCCCC2)CC(C)CC1(C)C
InChIInChI=1S/C18H30O2/c1-13(2)16(19)20-18(15-9-7-6-8-10-15)12-14(3)11-17(18,4)5/h14-15H,1,6-12H2,2-5H3
InChIKeyCBNSWAFBVYDIPR-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.88
Rot. Bonds3

About (1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate

(1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate (PubChem CID 122533297) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate
PubChem CID122533297
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CCCCC2)CC(C)CC1(C)C
InChIInChI=1S/C18H30O2/c1-13(2)16(19)20-18(15-9-7-6-8-10-15)12-14(3)11-17(18,4)5/h14-15H,1,6-12H2,2-5H3
InChIKeyCBNSWAFBVYDIPR-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.88
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

(4-cyclopropylspiro[4.5]decan-4-yl) 2-methylprop-2-enoate
CID 122533410
(1-cyclohexyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533389
(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
CID 164546927
(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate
CID 58887066
(1-cyclohexyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 122533343
(1,2-dicyclohexylcyclohexyl) 2-methylprop-2-enoate
CID 122533391
1-bicyclo[5.5.2]tetradecanyl 2-methylprop-2-enoate
CID 164546417
1-bicyclo[6.2.2]dodecanyl 2-methylprop-2-enoate
CID 164546621
1-bicyclo[5.3.2]dodecanyl 2-methylprop-2-enoate
CID 164546575
(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533362
(1-cycloheptyl-4-oxocycloheptyl) 2-methylprop-2-enoate
CID 139903733
[2,4,6-trimethyl-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140557479

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate?
The IUPAC name of (1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate (CID 122533297) is (1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate?
The canonical SMILES for (1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C2CCCCC2)CC(C)CC1(C)C.
What is the InChIKey of (1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate?
The InChIKey is CBNSWAFBVYDIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-13(2)16(19)20-18(15-9-7-6-8-10-15)12-14(3)11-17(18,4)5/h14-15H,1,6-12H2,2-5H3.
What are the key properties of (1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate?
(1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate has a molecular weight of 278.44 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 122533297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).