2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate

C18H34O3 — CID 58291384

IUPAC2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)C1CCC(C(C)(C)O)CC1
InChIInChI=1S/C18H34O3/c1-8-16(2,3)15(19)21-18(6,7)14-11-9-13(10-12-14)17(4,5)20/h13-14,20H,8-12H2,1-7H3
InChIKeyKOYPCMSGCCGRLA-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.32
Rot. Bonds5

About 2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate

2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate (PubChem CID 58291384) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate
PubChem CID58291384
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)C1CCC(C(C)(C)O)CC1
InChIInChI=1S/C18H34O3/c1-8-16(2,3)15(19)21-18(6,7)14-11-9-13(10-12-14)17(4,5)20/h13-14,20H,8-12H2,1-7H3
InChIKeyKOYPCMSGCCGRLA-UHFFFAOYSA-N
XLogP4.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-methyl-5-(trifluoromethyl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate
CID 129085446
2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate
CID 20767497
2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate
CID 144518122
3-methylpentan-3-yl 2,2-dimethylbutanoate
CID 22895611
tert-butyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;methane;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate
CID 158843595
bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
CID 155075566
2-[4-[2-(2-sulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-sulfanylacetate
CID 58944345
2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate
CID 143746498
[4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate
CID 59310486
[4-[2-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl] 2,2-dimethylbutanoate
CID 167379758
2-(4-methylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-(methylamino)pentanoate
CID 143746501
2-(1-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate
CID 129085447

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate (CID 58291384) is 2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)C1CCC(C(C)(C)O)CC1.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate?
The InChIKey is KOYPCMSGCCGRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-8-16(2,3)15(19)21-18(6,7)14-11-9-13(10-12-14)17(4,5)20/h13-14,20H,8-12H2,1-7H3.
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate?
2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 298.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 58291384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).