dibutoxy(butylsulfanyl)phosphane

C12H27O2PS — CID 19799721

IUPACdibutoxy(butylsulfanyl)phosphane
SMILESCCCCOP(OCCCC)SCCCC
InChIInChI=1S/C12H27O2PS/c1-4-7-10-13-15(14-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
InChIKeyRNIDAJHSDZPOSN-UHFFFAOYSA-N
MW266.39 g/mol
LogP5.38
Rot. Bonds12

About dibutoxy(butylsulfanyl)phosphane

dibutoxy(butylsulfanyl)phosphane (PubChem CID 19799721) has the molecular formula C12H27O2PS and a molecular weight of 266.39 g/mol. Its IUPAC name is dibutoxy(butylsulfanyl)phosphane.

Molecular Properties

Compound Namedibutoxy(butylsulfanyl)phosphane
PubChem CID19799721
Molecular FormulaC12H27O2PS
Molecular Weight266.39 g/mol
Exact Mass266.15
IUPAC Namedibutoxy(butylsulfanyl)phosphane
SMILESCCCCOP(OCCCC)SCCCC
InChIInChI=1S/C12H27O2PS/c1-4-7-10-13-15(14-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
InChIKeyRNIDAJHSDZPOSN-UHFFFAOYSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.39
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

diheptoxy(heptylsulfanyl)phosphane
CID 54315331
dodecyl 13-didodecoxyphosphanylsulfanyltridecanoate
CID 101318190
hexoxy-bis(hexylsulfanyl)phosphane
CID 87318864
butylsulfanyl-bis(methylsulfanyl)phosphane
CID 23280626
hexoxy(hexylsulfanyl)phosphinothious acid
CID 87318510
dibutoxy(chloro)phosphane
CID 4231195
dibutoxy(fluoro)phosphane
CID 15373704
(dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane
CID 100983351
chlororuthenium;tris(tributyl phosphite)
CID 173315437
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
diethyl(hexoxy)phosphane
CID 87283104

Frequently Asked Questions

What is the IUPAC name of dibutoxy(butylsulfanyl)phosphane?
The IUPAC name of dibutoxy(butylsulfanyl)phosphane (CID 19799721) is dibutoxy(butylsulfanyl)phosphane.
What is the SMILES notation for dibutoxy(butylsulfanyl)phosphane?
The canonical SMILES for dibutoxy(butylsulfanyl)phosphane is CCCCOP(OCCCC)SCCCC.
What is the InChIKey of dibutoxy(butylsulfanyl)phosphane?
The InChIKey is RNIDAJHSDZPOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O2PS/c1-4-7-10-13-15(14-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3.
What are the key properties of dibutoxy(butylsulfanyl)phosphane?
dibutoxy(butylsulfanyl)phosphane has a molecular weight of 266.39 g/mol, XLogP of 5.38, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy(butylsulfanyl)phosphane is sourced from PubChem (CID 19799721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).