[2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate

C15H28O2 — CID 145301573

IUPAC[2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate
SMILESCCC(=O)OCC(C)(C)CC1CCC(C)CC1
InChIInChI=1S/C15H28O2/c1-5-14(16)17-11-15(3,4)10-13-8-6-12(2)7-9-13/h12-13H,5-11H2,1-4H3
InChIKeyVCSHIWDTPUQTIH-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.18
Rot. Bonds5

About [2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate

[2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate (PubChem CID 145301573) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate.

Molecular Properties

Compound Name[2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate
PubChem CID145301573
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate
SMILESCCC(=O)OCC(C)(C)CC1CCC(C)CC1
InChIInChI=1S/C15H28O2/c1-5-14(16)17-11-15(3,4)10-13-8-6-12(2)7-9-13/h12-13H,5-11H2,1-4H3
InChIKeyVCSHIWDTPUQTIH-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-acetyloxy-2,2-dimethylpropyl) propanoate
CID 20633683
[(4R)-4-cyclohexyl-2,2-dimethylpentyl] propanoate
CID 144950302
1,3-dimethylcyclobutane;1-(2,2-dimethylhexyl)-4-methylcyclohexane;ethane;propane
CID 156867951
[2-methyl-2-(propanoyloxymethyl)butyl] propanoate
CID 89167745
(3-bromo-2,2-dimethylpropyl) 4-propylcyclohexane-1-carboxylate
CID 59289029
2,2,2-triaminoethyl propanoate
CID 163440168
tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid
CID 22106849
(3,3,3-trihydroxy-2,2-dimethylpropyl) propanoate
CID 174818490
(4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone
CID 59938817
ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
CID 106487001
tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol
CID 22106791
tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
CID 63243388

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate?
The IUPAC name of [2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate (CID 145301573) is [2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate.
What is the SMILES notation for [2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate?
The canonical SMILES for [2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate is CCC(=O)OCC(C)(C)CC1CCC(C)CC1.
What is the InChIKey of [2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate?
The InChIKey is VCSHIWDTPUQTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-14(16)17-11-15(3,4)10-13-8-6-12(2)7-9-13/h12-13H,5-11H2,1-4H3.
What are the key properties of [2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate?
[2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate has a molecular weight of 240.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(4-methylcyclohexyl)propyl] propanoate is sourced from PubChem (CID 145301573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).