2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate

C24H46O2 — CID 123681834

IUPAC2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate
SMILESCCC1CC(C)CC(C)(C(C)(C)OC(=O)C(C)(CC(C)(C)C)C(C)C)C1
InChIInChI=1S/C24H46O2/c1-12-19-13-18(4)14-23(10,15-19)22(8,9)26-20(25)24(11,17(2)3)16-21(5,6)7/h17-19H,12-16H2,1-11H3
InChIKeyWIMBBXMPWZFYMN-UHFFFAOYSA-N
MW366.63 g/mol
LogP7.26
Rot. Bonds6

About 2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate

2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate (PubChem CID 123681834) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate
PubChem CID123681834
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate
SMILESCCC1CC(C)CC(C)(C(C)(C)OC(=O)C(C)(CC(C)(C)C)C(C)C)C1
InChIInChI=1S/C24H46O2/c1-12-19-13-18(4)14-23(10,15-19)22(8,9)26-20(25)24(11,17(2)3)16-21(5,6)7/h17-19H,12-16H2,1-11H3
InChIKeyWIMBBXMPWZFYMN-UHFFFAOYSA-N
XLogP7.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate 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

(3-hydroxy-7-methyl-1-bicyclo[3.3.1]nonanyl) 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 70972020
2,3,3-trimethylbutan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123494424
[3-(2-hydroxyethoxy)-1-adamantyl] 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123918559
(3,5-dihydroxy-1-tricyclo[3.3.0.03,7]octanyl) 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123688905
tert-butyl 2-butan-2-yl-2,4,4-trimethylpentanoate
CID 123557963
1-propan-2-yloxyethyl 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123702828
[1-(2-hydroxy-2-methylbutyl)-3-methylcyclohexyl] 2,4-dimethyl-2-propan-2-yl-4-sulfanylpentanoate
CID 175624390
3-ethyl-1,1-difluoro-5-methylcyclohexane
CID 121407308
[3,5-bis(oxolan-2-yloxy)-1-adamantyl] 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123343077
2-cyclohexylpropan-2-yl 2-butan-2-yl-2,4,4-trimethylpentanoate
CID 123182543
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123862348
1,4-dioxaspiro[4.5]decan-3-ylmethyl 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123956251

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate?
The IUPAC name of 2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate (CID 123681834) is 2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate.
What is the SMILES notation for 2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate?
The canonical SMILES for 2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate is CCC1CC(C)CC(C)(C(C)(C)OC(=O)C(C)(CC(C)(C)C)C(C)C)C1.
What is the InChIKey of 2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate?
The InChIKey is WIMBBXMPWZFYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-12-19-13-18(4)14-23(10,15-19)22(8,9)26-20(25)24(11,17(2)3)16-21(5,6)7/h17-19H,12-16H2,1-11H3.
What are the key properties of 2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate?
2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate has a molecular weight of 366.63 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,5-dimethylcyclohexyl)propan-2-yl 2,4,4-trimethyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 123681834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).