dibutyl(1,1,2-triethoxypropyl)phosphane

C17H37O3P — CID 175262630

IUPACdibutyl(1,1,2-triethoxypropyl)phosphane
SMILESCCCCP(CCCC)C(OCC)(OCC)C(C)OCC
InChIInChI=1S/C17H37O3P/c1-7-12-14-21(15-13-8-2)17(19-10-4,20-11-5)16(6)18-9-3/h16H,7-15H2,1-6H3
InChIKeyHTSBDMUPVIFFKJ-UHFFFAOYSA-N
MW320.45 g/mol
LogP5.22
Rot. Bonds14

About dibutyl(1,1,2-triethoxypropyl)phosphane

dibutyl(1,1,2-triethoxypropyl)phosphane (PubChem CID 175262630) has the molecular formula C17H37O3P and a molecular weight of 320.45 g/mol. Its IUPAC name is dibutyl(1,1,2-triethoxypropyl)phosphane.

Molecular Properties

Compound Namedibutyl(1,1,2-triethoxypropyl)phosphane
PubChem CID175262630
Molecular FormulaC17H37O3P
Molecular Weight320.45 g/mol
Exact Mass320.25
IUPAC Namedibutyl(1,1,2-triethoxypropyl)phosphane
SMILESCCCCP(CCCC)C(OCC)(OCC)C(C)OCC
InChIInChI=1S/C17H37O3P/c1-7-12-14-21(15-13-8-2)17(19-10-4,20-11-5)16(6)18-9-3/h16H,7-15H2,1-6H3
InChIKeyHTSBDMUPVIFFKJ-UHFFFAOYSA-N
XLogP5.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.45
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1,2-diethoxy-1-silylpropyl)silane
CID 175503971
3-(1,1,2-triethoxypropylsulfanyl)propane-1-thiol
CID 175321027
dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane
CID 90109988
dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane
CID 18386849
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
1,1-diethoxyethane;sulfane
CID 87563963
ruthenium;tetrakis(tributylphosphane)
CID 137286049
[1,1-bis(dodecoxysulfanyl)-2-ethoxypropyl]silane
CID 173079384
1,1,2-triethoxypentan-1-ol
CID 87881189
N-butyl-N-(1-ethoxyethyl)hydroxylamine
CID 21400500
3-(1-ethoxyethoxymethyl)henhectane
CID 172814053
(E,2R)-2-[(1R)-1-ethoxyethyl]-2-methyloct-3-enal
CID 101437056

Frequently Asked Questions

What is the IUPAC name of dibutyl(1,1,2-triethoxypropyl)phosphane?
The IUPAC name of dibutyl(1,1,2-triethoxypropyl)phosphane (CID 175262630) is dibutyl(1,1,2-triethoxypropyl)phosphane.
What is the SMILES notation for dibutyl(1,1,2-triethoxypropyl)phosphane?
The canonical SMILES for dibutyl(1,1,2-triethoxypropyl)phosphane is CCCCP(CCCC)C(OCC)(OCC)C(C)OCC.
What is the InChIKey of dibutyl(1,1,2-triethoxypropyl)phosphane?
The InChIKey is HTSBDMUPVIFFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37O3P/c1-7-12-14-21(15-13-8-2)17(19-10-4,20-11-5)16(6)18-9-3/h16H,7-15H2,1-6H3.
What are the key properties of dibutyl(1,1,2-triethoxypropyl)phosphane?
dibutyl(1,1,2-triethoxypropyl)phosphane has a molecular weight of 320.45 g/mol, XLogP of 5.22, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(1,1,2-triethoxypropyl)phosphane is sourced from PubChem (CID 175262630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).