2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid

C8H13O4P — CID 126683048

IUPAC2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)OP
InChIInChI=1S/C8H13O4P/c9-7(10)5-3-1-2-4-6(5)8(11)12-13/h5-6H,1-4,13H2,(H,9,10)
InChIKeyLZAAYWUKYINABU-UHFFFAOYSA-N
MW204.16 g/mol
LogP1.21
Rot. Bonds2

About 2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid

2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid (PubChem CID 126683048) has the molecular formula C8H13O4P and a molecular weight of 204.16 g/mol. Its IUPAC name is 2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid
PubChem CID126683048
Molecular FormulaC8H13O4P
Molecular Weight204.16 g/mol
Exact Mass204.06
IUPAC Name2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)OP
InChIInChI=1S/C8H13O4P/c9-7(10)5-3-1-2-4-6(5)8(11)12-13/h5-6H,1-4,13H2,(H,9,10)
InChIKeyLZAAYWUKYINABU-UHFFFAOYSA-N
XLogP1.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-sulfanyloxycarbonylcyclohexane-1-carboxylic acid
CID 150374950
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
calcium;cis-(1S,2R)-cyclohexane-1,2-dicarboxylic acid;hydride;hydrate
CID 175099769
2-[3-(2-carboxycyclohexanecarbonyl)oxycarbonylcyclohexanecarbonyl]oxycarbonylcyclohexane-1-carboxylic acid
CID 155369817
2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262826
tris(ethane-1,2-diol);2-ethoxycarbonylcyclohexane-1-carboxylic acid
CID 67954498
trans-(1S,2R)-2-iodocyclohexane-1-carboxylic acid
CID 101414084
2-[1-(2-carboxycyclohexyl)ethenyl]cyclohexane-1-carboxylic acid
CID 177009051
(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426

Frequently Asked Questions

What is the IUPAC name of 2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid (CID 126683048) is 2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)OP.
What is the InChIKey of 2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid?
The InChIKey is LZAAYWUKYINABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O4P/c9-7(10)5-3-1-2-4-6(5)8(11)12-13/h5-6H,1-4,13H2,(H,9,10).
What are the key properties of 2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid?
2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid has a molecular weight of 204.16 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 126683048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).