1-propylcyclohexane-1,2-dicarboxylic acid

C11H18O4 — CID 18175920

IUPAC1-propylcyclohexane-1,2-dicarboxylic acid
SMILESCCCC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C11H18O4/c1-2-6-11(10(14)15)7-4-3-5-8(11)9(12)13/h8H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyPWHCSPCYSGDPNK-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.13
Rot. Bonds4

About 1-propylcyclohexane-1,2-dicarboxylic acid

1-propylcyclohexane-1,2-dicarboxylic acid (PubChem CID 18175920) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-propylcyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-propylcyclohexane-1,2-dicarboxylic acid
PubChem CID18175920
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name1-propylcyclohexane-1,2-dicarboxylic acid
SMILESCCCC1(C(=O)O)CCCCC1C(=O)O
InChIInChI=1S/C11H18O4/c1-2-6-11(10(14)15)7-4-3-5-8(11)9(12)13/h8H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyPWHCSPCYSGDPNK-UHFFFAOYSA-N
XLogP2.13
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene
CID 159036419
1-(4-hydroxybutyl)cyclohexane-1,2-dicarboxylic acid
CID 90859114
1-tetradec-2-enylcyclohexane-1,2-dicarboxylic acid
CID 54086177
1-(2-methoxyethyl)cyclohexane-1,2-dicarboxylic acid;prop-1-ene
CID 159439437
1-(2-carboxyhexyl)cyclohexane-1,2-dicarboxylic acid
CID 121349084
diethyl 1-propylcyclohexane-1,2-dicarboxylate
CID 146562592
1,2-dihexylcyclohexane-1-carboxylic acid
CID 18962215
2-hydroxybutyl prop-2-enoate;1-(2-prop-2-enoyloxyethyl)cyclohexane-1,2-dicarboxylic acid
CID 160742310
1-(2-prop-2-enoyloxypropyl)cyclohexane-1,2-dicarboxylic acid
CID 56634315
methane;1-methylcyclohexane-1,2-dicarboxylic acid
CID 173225702
1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 159985709
1-butyl-2-ethoxycycloundecane-1-carboxylic acid
CID 58781609

Frequently Asked Questions

What is the IUPAC name of 1-propylcyclohexane-1,2-dicarboxylic acid?
The IUPAC name of 1-propylcyclohexane-1,2-dicarboxylic acid (CID 18175920) is 1-propylcyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-propylcyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for 1-propylcyclohexane-1,2-dicarboxylic acid is CCCC1(C(=O)O)CCCCC1C(=O)O.
What is the InChIKey of 1-propylcyclohexane-1,2-dicarboxylic acid?
The InChIKey is PWHCSPCYSGDPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-6-11(10(14)15)7-4-3-5-8(11)9(12)13/h8H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 1-propylcyclohexane-1,2-dicarboxylic acid?
1-propylcyclohexane-1,2-dicarboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylcyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 18175920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).