2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol

C8H17O3P — CID 89374322

IUPAC2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol
SMILESCC(CO)C1OC(P)OCC1C
InChIInChI=1S/C8H17O3P/c1-5(3-9)7-6(2)4-10-8(12)11-7/h5-9H,3-4,12H2,1-2H3
InChIKeyZHNUPMMSUWREQM-UHFFFAOYSA-N
MW192.19 g/mol
LogP0.82
Rot. Bonds2

About 2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol

2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol (PubChem CID 89374322) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol
PubChem CID89374322
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol
SMILESCC(CO)C1OC(P)OCC1C
InChIInChI=1S/C8H17O3P/c1-5(3-9)7-6(2)4-10-8(12)11-7/h5-9H,3-4,12H2,1-2H3
InChIKeyZHNUPMMSUWREQM-UHFFFAOYSA-N
XLogP0.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol?
The IUPAC name of 2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol (CID 89374322) is 2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol.
What is the SMILES notation for 2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol?
The canonical SMILES for 2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol is CC(CO)C1OC(P)OCC1C.
What is the InChIKey of 2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol?
The InChIKey is ZHNUPMMSUWREQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3P/c1-5(3-9)7-6(2)4-10-8(12)11-7/h5-9H,3-4,12H2,1-2H3.
What are the key properties of 2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol?
2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol has a molecular weight of 192.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol is sourced from PubChem (CID 89374322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).