2-cyclohexylbutanedioic acid

C10H16O4 — CID 567920

IUPAC2-cyclohexylbutanedioic acid
SMILESO=C(O)CC(C(=O)O)C1CCCCC1
InChIInChI=1S/C10H16O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)(H,13,14)
InChIKeyFROUMWCGMNOSBK-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.74
Rot. Bonds4

About 2-cyclohexylbutanedioic acid

2-cyclohexylbutanedioic acid (PubChem CID 567920) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-cyclohexylbutanedioic acid.

Molecular Properties

Compound Name2-cyclohexylbutanedioic acid
PubChem CID567920
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-cyclohexylbutanedioic acid
SMILESO=C(O)CC(C(=O)O)C1CCCCC1
InChIInChI=1S/C10H16O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)(H,13,14)
InChIKeyFROUMWCGMNOSBK-UHFFFAOYSA-N
XLogP1.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylbutanedioic acid?
The IUPAC name of 2-cyclohexylbutanedioic acid (CID 567920) is 2-cyclohexylbutanedioic acid.
What is the SMILES notation for 2-cyclohexylbutanedioic acid?
The canonical SMILES for 2-cyclohexylbutanedioic acid is O=C(O)CC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylbutanedioic acid?
The InChIKey is FROUMWCGMNOSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-cyclohexylbutanedioic acid?
2-cyclohexylbutanedioic acid has a molecular weight of 200.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylbutanedioic acid is sourced from PubChem (CID 567920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).