2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid

C16H28O6 — CID 18724445

IUPAC2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid
SMILESCCC(CC(C)(CC(C)(CC)C(=O)O)C(=O)OC)C(=O)OC
InChIInChI=1S/C16H28O6/c1-7-11(12(17)21-5)9-16(4,14(20)22-6)10-15(3,8-2)13(18)19/h11H,7-10H2,1-6H3,(H,18,19)
InChIKeyWUNIXLRTVNMVEV-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.65
Rot. Bonds9

About 2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid

2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid (PubChem CID 18724445) has the molecular formula C16H28O6 and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid.

Molecular Properties

Compound Name2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid
PubChem CID18724445
Molecular FormulaC16H28O6
Molecular Weight316.39 g/mol
Exact Mass316.19
IUPAC Name2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid
SMILESCCC(CC(C)(CC(C)(CC)C(=O)O)C(=O)OC)C(=O)OC
InChIInChI=1S/C16H28O6/c1-7-11(12(17)21-5)9-16(4,14(20)22-6)10-15(3,8-2)13(18)19/h11H,7-10H2,1-6H3,(H,18,19)
InChIKeyWUNIXLRTVNMVEV-UHFFFAOYSA-N
XLogP2.65
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid 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

Cyclohexanediacetic acid
CID 78061
Nsc3001
CID 220370
3-(Methoxycarbonyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 274491
4-Methyl-1,1-cyclohexanediacetic acid
CID 458125
3-(Methoxycarbonyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 2736737
1,1-Cycloheptanediacetic acid
CID 3537895
(3R,5R,7S)-octane-1,3,5,7-tetracarboxylic acid
CID 24832027
(1R,2S,4R)-4-methoxycarbonyl-2,3,3-trimethylcyclopentane-1-carboxylic acid
CID 24982151
(1S,2R,4S)-4-methoxycarbonyl-2,3,3-trimethylcyclopentane-1-carboxylic acid
CID 15539261
Rangiformic acid
CID 101939806
2,9-Diethyl-2,9-dimethyldecanedioic acid
CID 3069693
3-(Methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 317553

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid?
The IUPAC name of 2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid (CID 18724445) is 2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid.
What is the SMILES notation for 2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid?
The canonical SMILES for 2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid is CCC(CC(C)(CC(C)(CC)C(=O)O)C(=O)OC)C(=O)OC.
What is the InChIKey of 2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid?
The InChIKey is WUNIXLRTVNMVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O6/c1-7-11(12(17)21-5)9-16(4,14(20)22-6)10-15(3,8-2)13(18)19/h11H,7-10H2,1-6H3,(H,18,19).
What are the key properties of 2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid?
2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid has a molecular weight of 316.39 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6-bis(methoxycarbonyl)-2,4-dimethyloctanoic acid is sourced from PubChem (CID 18724445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).