butyl(dioctoxy)phosphane

C20H43O2P — CID 139899840

IUPACbutyl(dioctoxy)phosphane
SMILESCCCCCCCCOP(CCCC)OCCCCCCCC
InChIInChI=1S/C20H43O2P/c1-4-7-10-12-14-16-18-21-23(20-9-6-3)22-19-17-15-13-11-8-5-2/h4-20H2,1-3H3
InChIKeyGFVXIJNIAYUEDX-UHFFFAOYSA-N
MW346.54 g/mol
LogP7.85
Rot. Bonds19

About butyl(dioctoxy)phosphane

butyl(dioctoxy)phosphane (PubChem CID 139899840) has the molecular formula C20H43O2P and a molecular weight of 346.54 g/mol. Its IUPAC name is butyl(dioctoxy)phosphane.

Molecular Properties

Compound Namebutyl(dioctoxy)phosphane
PubChem CID139899840
Molecular FormulaC20H43O2P
Molecular Weight346.54 g/mol
Exact Mass346.30
IUPAC Namebutyl(dioctoxy)phosphane
SMILESCCCCCCCCOP(CCCC)OCCCCCCCC
InChIInChI=1S/C20H43O2P/c1-4-7-10-12-14-16-18-21-23(20-9-6-3)22-19-17-15-13-11-8-5-2/h4-20H2,1-3H3
InChIKeyGFVXIJNIAYUEDX-UHFFFAOYSA-N
XLogP7.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.54
LogP ≤ 57.85
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

butyl(dipropoxy)phosphane
CID 87672656
benzene;butyl(dipropoxy)phosphane
CID 158448165
triheptadecyl phosphite
CID 23435031
diethoxy(pentyl)phosphane
CID 21107293
diethyl(hexoxy)phosphane
CID 87283104
didecyl hydrogen phosphite
CID 14151265
chloro(didodecoxy)phosphane
CID 54405346
disodium;hexyl phosphite
CID 139691830
decoxy(octoxy)phosphinothious acid
CID 54152589
butoxy-butyl-ditert-butylphosphanyloxyphosphane
CID 13184503
tetrakis(ditridecyl phosphite);titanium(4+)
CID 160640114
lithium dioctyl phosphite
CID 174541245

Frequently Asked Questions

What is the IUPAC name of butyl(dioctoxy)phosphane?
The IUPAC name of butyl(dioctoxy)phosphane (CID 139899840) is butyl(dioctoxy)phosphane.
What is the SMILES notation for butyl(dioctoxy)phosphane?
The canonical SMILES for butyl(dioctoxy)phosphane is CCCCCCCCOP(CCCC)OCCCCCCCC.
What is the InChIKey of butyl(dioctoxy)phosphane?
The InChIKey is GFVXIJNIAYUEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43O2P/c1-4-7-10-12-14-16-18-21-23(20-9-6-3)22-19-17-15-13-11-8-5-2/h4-20H2,1-3H3.
What are the key properties of butyl(dioctoxy)phosphane?
butyl(dioctoxy)phosphane has a molecular weight of 346.54 g/mol, XLogP of 7.85, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(dioctoxy)phosphane is sourced from PubChem (CID 139899840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).