3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane

C7H19O4P — CID 146422002

IUPAC3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane
SMILESOCCC(O)(CCO)CCO.P
InChIInChI=1S/C7H16O4.H3P/c8-4-1-7(11,2-5-9)3-6-10;/h8-11H,1-6H2;1H3
InChIKeyDXDLOQMUINZYDT-UHFFFAOYSA-N
MW198.20 g/mol
LogP-1.08
Rot. Bonds6

About 3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane

3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane (PubChem CID 146422002) has the molecular formula C7H19O4P and a molecular weight of 198.20 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane.

Molecular Properties

Compound Name3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane
PubChem CID146422002
Molecular FormulaC7H19O4P
Molecular Weight198.20 g/mol
Exact Mass198.10
IUPAC Name3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane
SMILESOCCC(O)(CCO)CCO.P
InChIInChI=1S/C7H16O4.H3P/c8-4-1-7(11,2-5-9)3-6-10;/h8-11H,1-6H2;1H3
InChIKeyDXDLOQMUINZYDT-UHFFFAOYSA-N
XLogP-1.08
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-propyloctane-1,3-diol
CID 88923981
3-butyldecane-1,3-diol
CID 88924042
3-hydroxy-3-(2-hydroxyethyl)pentanedioic acid
CID 87313805
1-aminopropane-1,1,3-triol
CID 54460463
ethane-1,2-diol;3-methylbutane-1,3-diol
CID 174420399
2-(hydroxymethyl)butane-1,1,1,2,4-pentol
CID 139890628
pentane-1,3,3-triol
CID 22001019
3-(aminomethyl)tridecane-1,3-diol
CID 174422631
12-propylpentadecane-1,12-diol
CID 146590856
4-decyltetradecane-1,4-diol
CID 170650453
3,4-diethylhexane-1,3,4-triol
CID 141316281
4-methylpentane-1,3,3-triol
CID 89013357

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane?
The IUPAC name of 3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane (CID 146422002) is 3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane.
What is the SMILES notation for 3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane?
The canonical SMILES for 3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane is OCCC(O)(CCO)CCO.P.
What is the InChIKey of 3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane?
The InChIKey is DXDLOQMUINZYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4.H3P/c8-4-1-7(11,2-5-9)3-6-10;/h8-11H,1-6H2;1H3.
What are the key properties of 3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane?
3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane has a molecular weight of 198.20 g/mol, XLogP of -1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)pentane-1,3,5-triol;phosphane is sourced from PubChem (CID 146422002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).