[2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid

C9H17O4P — CID 123511485

IUPAC[2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid
SMILESO=C(COPO)OCC1CCCCC1
InChIInChI=1S/C9H17O4P/c10-9(7-13-14-11)12-6-8-4-2-1-3-5-8/h8,11,14H,1-7H2
InChIKeyJYDHZKLNFMWAOU-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.63
Rot. Bonds5

About [2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid

[2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid (PubChem CID 123511485) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is [2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid.

Molecular Properties

Compound Name[2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid
PubChem CID123511485
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name[2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid
SMILESO=C(COPO)OCC1CCCCC1
InChIInChI=1S/C9H17O4P/c10-9(7-13-14-11)12-6-8-4-2-1-3-5-8/h8,11,14H,1-7H2
InChIKeyJYDHZKLNFMWAOU-UHFFFAOYSA-N
XLogP1.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopentylmethyl 2-methoxyacetate;molecular hydrogen
CID 161365389
3-(cyclohexylmethoxy)-3-oxopropanoic acid
CID 19378623
cyclohexylmethyl but-3-enoate
CID 142409081
cycloheptylmethyl 2-(cyclopropylmethylamino)acetate
CID 114248573
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
2-(cyclopentylmethoxy)-2-oxoethanesulfonic acid
CID 129061918
cyclopentylmethyl 2-(cyclopropylmethylamino)acetate
CID 66323510
cycloheptylmethyl hexanoate
CID 54549126
4-O-(cyclohexylmethyl) 1-O-(2-fluoroethyl) butanedioate
CID 91700798
cyclohexylmethyl 2-(2-aminophenoxy)acetate
CID 61321591
cyclohexylmethyl 2-oxoacetate
CID 174782114
cycloheptylmethyl tridecanoate
CID 54548120

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid?
The IUPAC name of [2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid (CID 123511485) is [2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid.
What is the SMILES notation for [2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid?
The canonical SMILES for [2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid is O=C(COPO)OCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid?
The InChIKey is JYDHZKLNFMWAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c10-9(7-13-14-11)12-6-8-4-2-1-3-5-8/h8,11,14H,1-7H2.
What are the key properties of [2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid?
[2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid has a molecular weight of 220.20 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethoxy)-2-oxoethoxy]phosphinous acid is sourced from PubChem (CID 123511485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).