1-dibutylphosphanylpropan-1-ol

C11H25OP — CID 89485556

IUPAC1-dibutylphosphanylpropan-1-ol
SMILESCCCCP(CCCC)C(O)CC
InChIInChI=1S/C11H25OP/c1-4-7-9-13(10-8-5-2)11(12)6-3/h11-12H,4-10H2,1-3H3
InChIKeyBPMUHYKCUYQBQZ-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.80
Rot. Bonds8

About 1-dibutylphosphanylpropan-1-ol

1-dibutylphosphanylpropan-1-ol (PubChem CID 89485556) has the molecular formula C11H25OP and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-dibutylphosphanylpropan-1-ol.

Molecular Properties

Compound Name1-dibutylphosphanylpropan-1-ol
PubChem CID89485556
Molecular FormulaC11H25OP
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Name1-dibutylphosphanylpropan-1-ol
SMILESCCCCP(CCCC)C(O)CC
InChIInChI=1S/C11H25OP/c1-4-7-9-13(10-8-5-2)11(12)6-3/h11-12H,4-10H2,1-3H3
InChIKeyBPMUHYKCUYQBQZ-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dibutylphosphanylethanol
CID 89485463
dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane
CID 18386849
dibutyl(hexan-3-yl)phosphane;hydrobromide
CID 172717533
diheptyl(pentan-3-yl)phosphane
CID 87508325
dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane
CID 90109988
dibutyl(1-dibutylphosphanyloctyl)phosphane
CID 90109287
butan-2-ol;pentane
CID 87560104
diheptyl(propan-2-yl)phosphane
CID 22497662
1-dioctadecylphosphanylpropane-1,2,3-triol
CID 87400132
1-butoxybutane;propane-1,1-diol
CID 87222669
decan-3-yl(dioctyl)phosphane
CID 150488617
1-dipentylphosphanylpentyl(dipentyl)phosphane
CID 90109167

Frequently Asked Questions

What is the IUPAC name of 1-dibutylphosphanylpropan-1-ol?
The IUPAC name of 1-dibutylphosphanylpropan-1-ol (CID 89485556) is 1-dibutylphosphanylpropan-1-ol.
What is the SMILES notation for 1-dibutylphosphanylpropan-1-ol?
The canonical SMILES for 1-dibutylphosphanylpropan-1-ol is CCCCP(CCCC)C(O)CC.
What is the InChIKey of 1-dibutylphosphanylpropan-1-ol?
The InChIKey is BPMUHYKCUYQBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25OP/c1-4-7-9-13(10-8-5-2)11(12)6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-dibutylphosphanylpropan-1-ol?
1-dibutylphosphanylpropan-1-ol has a molecular weight of 204.29 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibutylphosphanylpropan-1-ol is sourced from PubChem (CID 89485556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).