2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol

C8H20IO3P — CID 166063381

IUPAC2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol
SMILESCP(C)(C)(I)CC(CO)(CO)CO
InChIInChI=1S/C8H20IO3P/c1-13(2,3,9)7-8(4-10,5-11)6-12/h10-12H,4-7H2,1-3H3
InChIKeyKBRRXBNAPJALSS-UHFFFAOYSA-N
MW322.12 g/mol
LogP0.74
Rot. Bonds5

About 2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol

2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol (PubChem CID 166063381) has the molecular formula C8H20IO3P and a molecular weight of 322.12 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol
PubChem CID166063381
Molecular FormulaC8H20IO3P
Molecular Weight322.12 g/mol
Exact Mass322.02
IUPAC Name2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol
SMILESCP(C)(C)(I)CC(CO)(CO)CO
InChIInChI=1S/C8H20IO3P/c1-13(2,3,9)7-8(4-10,5-11)6-12/h10-12H,4-7H2,1-3H3
InChIKeyKBRRXBNAPJALSS-UHFFFAOYSA-N
XLogP0.74
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(hydroxymethyl)(113C)propane-1,3-diol
CID 162343547
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
CID 157350267
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc
CID 175286954
actinium;2,2-bis(hydroxymethyl)propane-1,3-diol
CID 18715964
tetrakis(2,2-bis(hydroxymethyl)propane-1,3-diol);tetraazide
CID 173049847
2-ethyl-2-(iodomethyl)propane-1,3-diol
CID 118585787
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride
CID 173460114
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214
acetic acid;bis(2,2-bis(hydroxymethyl)propane-1,3-diol)
CID 173446571
CID 87987203
CID 87987203

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol (CID 166063381) is 2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol is CP(C)(C)(I)CC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol?
The InChIKey is KBRRXBNAPJALSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20IO3P/c1-13(2,3,9)7-8(4-10,5-11)6-12/h10-12H,4-7H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol?
2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol has a molecular weight of 322.12 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[[iodo(trimethyl)-λ5-phosphanyl]methyl]propane-1,3-diol is sourced from PubChem (CID 166063381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).