4,5-dipropylcyclohexane-1,2-dicarboxylic acid

C14H24O4 — CID 58183345

IUPAC4,5-dipropylcyclohexane-1,2-dicarboxylic acid
SMILESCCCC1CC(C(=O)O)C(C(=O)O)CC1CCC
InChIInChI=1S/C14H24O4/c1-3-5-9-7-11(13(15)16)12(14(17)18)8-10(9)6-4-2/h9-12H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAUHBHEZREOUOFQ-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.01
Rot. Bonds6

About 4,5-dipropylcyclohexane-1,2-dicarboxylic acid

4,5-dipropylcyclohexane-1,2-dicarboxylic acid (PubChem CID 58183345) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4,5-dipropylcyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4,5-dipropylcyclohexane-1,2-dicarboxylic acid
PubChem CID58183345
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name4,5-dipropylcyclohexane-1,2-dicarboxylic acid
SMILESCCCC1CC(C(=O)O)C(C(=O)O)CC1CCC
InChIInChI=1S/C14H24O4/c1-3-5-9-7-11(13(15)16)12(14(17)18)8-10(9)6-4-2/h9-12H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAUHBHEZREOUOFQ-UHFFFAOYSA-N
XLogP3.01
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-propylcyclopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106704168
2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 139838186
3-amino-2-propylcyclobutane-1-carboxylic acid
CID 123989356
2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone
CID 154814213
bis(5-methyl-2-propylcyclohexyl)methanone
CID 150034855
2,4,6-tripropylcyclohexane-1-carboxylic acid
CID 135149042
cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
4,5-bis(2,2-dimethylpropyl)cyclohexane-1,2-dicarboxylic acid
CID 155177346
2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114110539
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
4-butylcyclohexane-1,2-dicarboxylic acid
CID 23284163
cis-(1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylic acid
CID 146256670

Frequently Asked Questions

What is the IUPAC name of 4,5-dipropylcyclohexane-1,2-dicarboxylic acid?
The IUPAC name of 4,5-dipropylcyclohexane-1,2-dicarboxylic acid (CID 58183345) is 4,5-dipropylcyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for 4,5-dipropylcyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for 4,5-dipropylcyclohexane-1,2-dicarboxylic acid is CCCC1CC(C(=O)O)C(C(=O)O)CC1CCC.
What is the InChIKey of 4,5-dipropylcyclohexane-1,2-dicarboxylic acid?
The InChIKey is AUHBHEZREOUOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-5-9-7-11(13(15)16)12(14(17)18)8-10(9)6-4-2/h9-12H,3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4,5-dipropylcyclohexane-1,2-dicarboxylic acid?
4,5-dipropylcyclohexane-1,2-dicarboxylic acid has a molecular weight of 256.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipropylcyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 58183345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).