CID 172717097

C4H13O3P — CID 172717097

IUPAC—
SMILESCCCCP.OOO
InChIInChI=1S/C4H11P.H2O3/c1-2-3-4-5;1-3-2/h2-5H2,1H3;1-2H
InChIKeyFZVQYTGJGORLNF-UHFFFAOYSA-N
MW140.12 g/mol
LogP1.61
Rot. Bonds2

About CID 172717097

CID 172717097 (PubChem CID 172717097) has the molecular formula C4H13O3P and a molecular weight of 140.12 g/mol.

Molecular Properties

Compound NameCID 172717097
PubChem CID172717097
Molecular FormulaC4H13O3P
Molecular Weight140.12 g/mol
Exact Mass140.06
IUPAC Name—
SMILESCCCCP.OOO
InChIInChI=1S/C4H11P.H2O3/c1-2-3-4-5;1-3-2/h2-5H2,1H3;1-2H
InChIKeyFZVQYTGJGORLNF-UHFFFAOYSA-N
XLogP1.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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nonylphosphane;hydrobromide
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decylphosphane;hydrate
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octylphosphane;tetramethylphosphanium;bromide
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heptan-1-ol;heptylphosphane
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azane;hexane
CID 18428977
N,N-dimethylmethanamine;octadecylphosphane;hydrate
CID 174723462

Frequently Asked Questions

What is the IUPAC name of CID 172717097?
The IUPAC name of CID 172717097 (CID 172717097) is not available.
What is the SMILES notation for CID 172717097?
The canonical SMILES for CID 172717097 is CCCCP.OOO.
What is the InChIKey of CID 172717097?
The InChIKey is FZVQYTGJGORLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11P.H2O3/c1-2-3-4-5;1-3-2/h2-5H2,1H3;1-2H.
What are the key properties of CID 172717097?
CID 172717097 has a molecular weight of 140.12 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172717097 is sourced from PubChem (CID 172717097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).