4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid

C18H32O4 — CID 151687641

IUPAC4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid
SMILESCCCC1CCC(C)C(CCCC(=O)O)C1CCCC(=O)O
InChIInChI=1S/C18H32O4/c1-3-6-14-12-11-13(2)15(7-4-9-17(19)20)16(14)8-5-10-18(21)22/h13-16H,3-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyRBWMUAZXGZCEHC-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.57
Rot. Bonds10

About 4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid

4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid (PubChem CID 151687641) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid
PubChem CID151687641
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid
SMILESCCCC1CCC(C)C(CCCC(=O)O)C1CCCC(=O)O
InChIInChI=1S/C18H32O4/c1-3-6-14-12-11-13(2)15(7-4-9-17(19)20)16(14)8-5-10-18(21)22/h13-16H,3-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyRBWMUAZXGZCEHC-UHFFFAOYSA-N
XLogP4.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic 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

8-[3-(7-carboxyheptyl)-4-hexyl-2-octylcyclohexyl]octanoic acid
CID 58224535
8-[3-(7-carboxyheptyl)-2-heptyl-4-hexylcyclohexyl]octanoic acid;methanediol
CID 91189495
(1R)-1-methyl-2,3-dipropylcyclopentane
CID 168721749
3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane
CID 123913316
7-[(2-hexyl-5-methylcyclopentyl)amino]heptanoic acid
CID 54195114
8-[1-(7-carboxyheptyl)-6,7-dipentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octanoic acid
CID 20626771
hexadecanoic acid;1,2,4-trimethylcyclohexane
CID 158194020
7-[2-(hexylamino)-6-methylcyclohexyl]heptanoic acid
CID 67932357
1-ethyl-3-methyl-2-pentylcyclopentane
CID 91079962
2-butyl-3,6-dimethylcyclohexan-1-ol
CID 58534485
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
10-(2-butylcyclopropyl)decanoic acid
CID 71374776

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid?
The IUPAC name of 4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid (CID 151687641) is 4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid.
What is the SMILES notation for 4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid?
The canonical SMILES for 4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid is CCCC1CCC(C)C(CCCC(=O)O)C1CCCC(=O)O.
What is the InChIKey of 4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid?
The InChIKey is RBWMUAZXGZCEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-3-6-14-12-11-13(2)15(7-4-9-17(19)20)16(14)8-5-10-18(21)22/h13-16H,3-12H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid?
4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid has a molecular weight of 312.45 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-carboxypropyl)-6-methyl-3-propylcyclohexyl]butanoic acid is sourced from PubChem (CID 151687641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).