1-dibutoxyphosphorylpropan-2-ol

C11H25O4P — CID 12530536

IUPAC1-dibutoxyphosphorylpropan-2-ol
SMILESCCCCOP(=O)(CC(C)O)OCCCC
InChIInChI=1S/C11H25O4P/c1-4-6-8-14-16(13,10-11(3)12)15-9-7-5-2/h11-12H,4-10H2,1-3H3
InChIKeyGGXOULSEAZTHKU-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.19
Rot. Bonds10

About 1-dibutoxyphosphorylpropan-2-ol

1-dibutoxyphosphorylpropan-2-ol (PubChem CID 12530536) has the molecular formula C11H25O4P and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-dibutoxyphosphorylpropan-2-ol.

Molecular Properties

Compound Name1-dibutoxyphosphorylpropan-2-ol
PubChem CID12530536
Molecular FormulaC11H25O4P
Molecular Weight252.29 g/mol
Exact Mass252.15
IUPAC Name1-dibutoxyphosphorylpropan-2-ol
SMILESCCCCOP(=O)(CC(C)O)OCCCC
InChIInChI=1S/C11H25O4P/c1-4-6-8-14-16(13,10-11(3)12)15-9-7-5-2/h11-12H,4-10H2,1-3H3
InChIKeyGGXOULSEAZTHKU-UHFFFAOYSA-N
XLogP3.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dibutoxyphosphorylpropan-2-ol?
The IUPAC name of 1-dibutoxyphosphorylpropan-2-ol (CID 12530536) is 1-dibutoxyphosphorylpropan-2-ol.
What is the SMILES notation for 1-dibutoxyphosphorylpropan-2-ol?
The canonical SMILES for 1-dibutoxyphosphorylpropan-2-ol is CCCCOP(=O)(CC(C)O)OCCCC.
What is the InChIKey of 1-dibutoxyphosphorylpropan-2-ol?
The InChIKey is GGXOULSEAZTHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O4P/c1-4-6-8-14-16(13,10-11(3)12)15-9-7-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-dibutoxyphosphorylpropan-2-ol?
1-dibutoxyphosphorylpropan-2-ol has a molecular weight of 252.29 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibutoxyphosphorylpropan-2-ol is sourced from PubChem (CID 12530536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).