2-(5-Methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid

C14H24O5 — CID 68969679

IUPAC2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid
SMILESCC1CCC(C(C1)OC(CC(=O)O)C(=O)O)C(C)C
InChIInChI=1S/C14H24O5/c1-8(2)10-5-4-9(3)6-11(10)19-12(14(17)18)7-13(15)16/h8-12H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyDXHJDCBPRXVQJS-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.70
Rot. Bonds6

About 2-(5-Methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid

2-(5-Methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid (PubChem CID 68969679) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid.

Molecular Properties

Compound Name2-(5-Methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid
PubChem CID68969679
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid
SMILESCC1CCC(C(C1)OC(CC(=O)O)C(=O)O)C(C)C
InChIInChI=1S/C14H24O5/c1-8(2)10-5-4-9(3)6-11(10)19-12(14(17)18)7-13(15)16/h8-12H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyDXHJDCBPRXVQJS-UHFFFAOYSA-N
XLogP2.70
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity326

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Monomenthyl succinate, (-)-
CID 11219061
1-(5-Methyl-2-(1-methylethyl)cyclohexyl) hydrogen butanedioate
CID 10199004
Tartaric acid, dimenthyl ester
CID 558259
Bis(2-isopropyl-5-methylcyclohexyl) 2,3-dihydroxysuccinate
CID 6732866
Athylglykolsaurementhylester
CID 22182802
l-Menthyl glyceryl ether
CID 129662488
Bis(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxybutanedioate
CID 101654770
Di-menthyldiacetyltartrat
CID 129658567
(3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
CID 134878872
bis[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] (2R)-2-hydroxybutanedioate
CID 139246700
[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-hydroxypropanoate
CID 139246702
bis[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] (2S)-2-hydroxybutanedioate
CID 139246704

Frequently Asked Questions

What is the IUPAC name of 2-(5-Methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid?
The IUPAC name of 2-(5-Methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid (CID 68969679) is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid.
What is the SMILES notation for 2-(5-Methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid?
The canonical SMILES for 2-(5-Methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid is CC1CCC(C(C1)OC(CC(=O)O)C(=O)O)C(C)C.
What is the InChIKey of 2-(5-Methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid?
The InChIKey is DXHJDCBPRXVQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-8(2)10-5-4-9(3)6-11(10)19-12(14(17)18)7-13(15)16/h8-12H,4-7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-(5-Methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid?
2-(5-Methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid has a molecular weight of 272.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-Methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid is sourced from PubChem (CID 68969679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).