2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid

C21H38O4 — CID 69471517

IUPAC2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCCC(C)C(CC(C)CC(C)(C)C)OC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C21H38O4/c1-7-15(3)18(12-14(2)13-21(4,5)6)25-20(24)17-11-9-8-10-16(17)19(22)23/h14-18H,7-13H2,1-6H3,(H,22,23)
InChIKeyZAMQVXZYPPKUCN-UHFFFAOYSA-N
MW354.53 g/mol
LogP5.30
Rot. Bonds8

About 2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid

2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid (PubChem CID 69471517) has the molecular formula C21H38O4 and a molecular weight of 354.53 g/mol. Its IUPAC name is 2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid
PubChem CID69471517
Molecular FormulaC21H38O4
Molecular Weight354.53 g/mol
Exact Mass354.28
IUPAC Name2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCCC(C)C(CC(C)CC(C)(C)C)OC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C21H38O4/c1-7-15(3)18(12-14(2)13-21(4,5)6)25-20(24)17-11-9-8-10-16(17)19(22)23/h14-18H,7-13H2,1-6H3,(H,22,23)
InChIKeyZAMQVXZYPPKUCN-UHFFFAOYSA-N
XLogP5.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic 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

2-(3,5,5-trimethylhexoxycarbonyl)cyclohexane-1-carboxylic acid
CID 69473063
2-(2-methylpentadecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 69471571
cis-bis(3,5,5-trimethylhexyl) (1S,2R)-cyclohexane-1,2-dicarboxylate
CID 139841222
2-(3-methylundecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 69477008
2-(2,16-dimethylheptadecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 69476910
2-(5-ethylheptadecan-6-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262913
2-[1-(2-carboxycyclohexanecarbonyl)oxy-2-(2,2-dimethylbutanoyloxy)ethoxy]carbonylcyclohexane-1-carboxylic acid
CID 59815567
2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 71012816
2-[2-(2-ethyl-2,4-dimethylpentanoyl)oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 123665169
2-(2-methyltetradecan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 69474441
2-pentadecan-3-yloxycarbonylcyclohexane-1-carboxylic acid
CID 69472547
2-(16-methyl-6-propylheptadecan-7-yl)oxycarbonylcyclohexane-1-carboxylic acid
CID 141262934

Frequently Asked Questions

What is the IUPAC name of 2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid (CID 69471517) is 2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid is CCC(C)C(CC(C)CC(C)(C)C)OC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is ZAMQVXZYPPKUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O4/c1-7-15(3)18(12-14(2)13-21(4,5)6)25-20(24)17-11-9-8-10-16(17)19(22)23/h14-18H,7-13H2,1-6H3,(H,22,23).
What are the key properties of 2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid?
2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 354.53 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6,8,8-tetramethylnonan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69471517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).