1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid

C15H24O6 — CID 121349084

IUPAC1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid
SMILESCCCCC(CC1(C(=O)O)CCCCC1C(=O)O)C(=O)O
InChIInChI=1S/C15H24O6/c1-2-3-6-10(12(16)17)9-15(14(20)21)8-5-4-7-11(15)13(18)19/h10-11H,2-9H2,1H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeySZNAVLOUEDODFG-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.61
Rot. Bonds8

About 1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid

1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid (PubChem CID 121349084) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid
PubChem CID121349084
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid
SMILESCCCCC(CC1(C(=O)O)CCCCC1C(=O)O)C(=O)O
InChIInChI=1S/C15H24O6/c1-2-3-6-10(12(16)17)9-15(14(20)21)8-5-4-7-11(15)13(18)19/h10-11H,2-9H2,1H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeySZNAVLOUEDODFG-UHFFFAOYSA-N
XLogP2.61
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 18175920
1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene
CID 159036419
1-tetradec-2-enylcyclohexane-1,2-dicarboxylic acid
CID 54086177
1-(4-hydroxybutyl)cyclohexane-1,2-dicarboxylic acid
CID 90859114
CID 87702087
CID 87702087
cyclohexane;2-ethylhexanoic acid;nickel
CID 174366727
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CID 174821009
1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene
CID 159439437
1,2-dihexylcyclohexane-1-carboxylic acid
CID 18962215
2-(1,3-dihydroxynonyl)-2-hydroxycyclooctane-1-carboxylic acid
CID 58914220
1-butyl-2-ethoxycycloundecane-1-carboxylic acid
CID 58781609
cobalt;bis(2-ethylhexanoic acid)
CID 85390748

Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid?
The IUPAC name of 1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid (CID 121349084) is 1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for 1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid is CCCCC(CC1(C(=O)O)CCCCC1C(=O)O)C(=O)O.
What is the InChIKey of 1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid?
The InChIKey is SZNAVLOUEDODFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-2-3-6-10(12(16)17)9-15(14(20)21)8-5-4-7-11(15)13(18)19/h10-11H,2-9H2,1H3,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid?
1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid has a molecular weight of 300.35 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 121349084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).