2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium

C7H19ClO7P+ — CID 88829680

IUPAC2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium
SMILESCCCl.O=[P+](O)O.OCC(CO)(CO)CO
InChIInChI=1S/C5H12O4.C2H5Cl.HO3P/c6-1-5(2-7,3-8)4-9;1-2-3;1-4(2)3/h6-9H,1-4H2;2H2,1H3;(H-,1,2,3)/p+1
InChIKeyRUSQWJPGWHZZET-UHFFFAOYSA-O
MW281.65 g/mol
LogP-1.18
Rot. Bonds4

About 2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium

2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium (PubChem CID 88829680) has the molecular formula C7H19ClO7P+ and a molecular weight of 281.65 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Name2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium
PubChem CID88829680
Molecular FormulaC7H19ClO7P+
Molecular Weight281.65 g/mol
Exact Mass281.06
IUPAC Name2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium
SMILESCCCl.O=[P+](O)O.OCC(CO)(CO)CO
InChIInChI=1S/C5H12O4.C2H5Cl.HO3P/c6-1-5(2-7,3-8)4-9;1-2-3;1-4(2)3/h6-9H,1-4H2;2H2,1H3;(H-,1,2,3)/p+1
InChIKeyRUSQWJPGWHZZET-UHFFFAOYSA-O
XLogP-1.18
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.65
LogP ≤ 5-1.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
2,2-bis(hydroxymethyl)propane-1,3-diol;N-ethylethanamine
CID 158653740
2,2-bis(hydroxymethyl)(113C)propane-1,3-diol
CID 162343547
dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane
CID 158600655
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
CID 157350267
acetic acid;bis(2,2-bis(hydroxymethyl)propane-1,3-diol)
CID 173446571
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc
CID 175286954
actinium;2,2-bis(hydroxymethyl)propane-1,3-diol
CID 18715964
1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide
CID 106258700
sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride
CID 173460114
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium?
The IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium (CID 88829680) is 2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium.
What is the SMILES notation for 2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium?
The canonical SMILES for 2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium is CCCl.O=[P+](O)O.OCC(CO)(CO)CO.
What is the InChIKey of 2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium?
The InChIKey is RUSQWJPGWHZZET-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12O4.C2H5Cl.HO3P/c6-1-5(2-7,3-8)4-9;1-2-3;1-4(2)3/h6-9H,1-4H2;2H2,1H3;(H-,1,2,3)/p+1.
What are the key properties of 2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium?
2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium has a molecular weight of 281.65 g/mol, XLogP of -1.18, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(hydroxymethyl)propane-1,3-diol;chloroethane;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 88829680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).