dibutoxy(chloro)phosphane

C8H18ClO2P — CID 4231195

IUPACdibutoxy(chloro)phosphane
SMILESCCCCOP(Cl)OCCCC
InChIInChI=1S/C8H18ClO2P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3
InChIKeyRGBRNLMBUNZLQD-UHFFFAOYSA-N
MW212.66 g/mol
LogP4.09
Rot. Bonds8

About dibutoxy(chloro)phosphane

dibutoxy(chloro)phosphane (PubChem CID 4231195) has the molecular formula C8H18ClO2P and a molecular weight of 212.66 g/mol. Its IUPAC name is dibutoxy(chloro)phosphane.

Molecular Properties

Compound Namedibutoxy(chloro)phosphane
PubChem CID4231195
Molecular FormulaC8H18ClO2P
Molecular Weight212.66 g/mol
Exact Mass212.07
IUPAC Namedibutoxy(chloro)phosphane
SMILESCCCCOP(Cl)OCCCC
InChIInChI=1S/C8H18ClO2P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3
InChIKeyRGBRNLMBUNZLQD-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloro(didodecoxy)phosphane
CID 54405346
chlororuthenium;tris(tributyl phosphite)
CID 173315437
dibutoxy(fluoro)phosphane
CID 15373704
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
N-dibutoxyphosphanyl-N-ethylethanamine
CID 12614123
butyl methyl phosphite
CID 21328235
dichloro(propoxy)phosphane
CID 536189
triheptadecyl phosphite
CID 23435031
dibutoxy(butylsulfanyl)phosphane
CID 19799721
1-butylperoxybutane
CID 159275797
pentyl dihydrogen phosphite;zinc
CID 88839337

Frequently Asked Questions

What is the IUPAC name of dibutoxy(chloro)phosphane?
The IUPAC name of dibutoxy(chloro)phosphane (CID 4231195) is dibutoxy(chloro)phosphane.
What is the SMILES notation for dibutoxy(chloro)phosphane?
The canonical SMILES for dibutoxy(chloro)phosphane is CCCCOP(Cl)OCCCC.
What is the InChIKey of dibutoxy(chloro)phosphane?
The InChIKey is RGBRNLMBUNZLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClO2P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3.
What are the key properties of dibutoxy(chloro)phosphane?
dibutoxy(chloro)phosphane has a molecular weight of 212.66 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy(chloro)phosphane is sourced from PubChem (CID 4231195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).