dipropylphosphorylmethanol

C7H17O2P — CID 18981637

IUPACdipropylphosphorylmethanol
SMILESCCCP(=O)(CO)CCC
InChIInChI=1S/C7H17O2P/c1-3-5-10(9,7-8)6-4-2/h8H,3-7H2,1-2H3
InChIKeyATQKFDFXHBQQNC-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.12
Rot. Bonds5

About dipropylphosphorylmethanol

dipropylphosphorylmethanol (PubChem CID 18981637) has the molecular formula C7H17O2P and a molecular weight of 164.19 g/mol. Its IUPAC name is dipropylphosphorylmethanol.

Molecular Properties

Compound Namedipropylphosphorylmethanol
PubChem CID18981637
Molecular FormulaC7H17O2P
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Namedipropylphosphorylmethanol
SMILESCCCP(=O)(CO)CCC
InChIInChI=1S/C7H17O2P/c1-3-5-10(9,7-8)6-4-2/h8H,3-7H2,1-2H3
InChIKeyATQKFDFXHBQQNC-UHFFFAOYSA-N
XLogP2.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibutylphosphorylmethanol
CID 5219006
1,2-bis(diethylphosphoryl)ethane
CID 22892167
barium(2+);ethyl(propyl)phosphinic acid;hydride
CID 174823068
methyl(propyl)phosphinic acid
CID 10992780
propylphosphonamidic acid
CID 22250964
magnesium;dipropylphosphinic acid;hydride
CID 175497166
[chloromethyl(hydroxymethyl)phosphoryl]methanol
CID 12572762
tris(dipropylphosphinic acid);propane-1,2,3-triol
CID 173171073
3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol
CID 89306365
8-[hexyl(octyl)phosphoryl]octan-1-ol
CID 139594287
2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol
CID 172735074
2-[ethyl(propyl)phosphoryl]oxypropan-1-ol
CID 129142575

Frequently Asked Questions

What is the IUPAC name of dipropylphosphorylmethanol?
The IUPAC name of dipropylphosphorylmethanol (CID 18981637) is dipropylphosphorylmethanol.
What is the SMILES notation for dipropylphosphorylmethanol?
The canonical SMILES for dipropylphosphorylmethanol is CCCP(=O)(CO)CCC.
What is the InChIKey of dipropylphosphorylmethanol?
The InChIKey is ATQKFDFXHBQQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O2P/c1-3-5-10(9,7-8)6-4-2/h8H,3-7H2,1-2H3.
What are the key properties of dipropylphosphorylmethanol?
dipropylphosphorylmethanol has a molecular weight of 164.19 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylphosphorylmethanol is sourced from PubChem (CID 18981637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).