tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane

C23H51OPSi — CID 173221020

IUPACtetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane
SMILESCCCCP(CCCC)(CCCC)(CCCC)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C23H51OPSi/c1-7-11-19-25(20-12-8-2,21-13-9-3,22-14-10-4)23(26(5)6)17-15-16-18-24-23/h26H,7-22H2,1-6H3
InChIKeyWFDLFONAMUXMMS-UHFFFAOYSA-N
MW402.72 g/mol
LogP7.66
Rot. Bonds14

About tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane

tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane (PubChem CID 173221020) has the molecular formula C23H51OPSi and a molecular weight of 402.72 g/mol. Its IUPAC name is tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane.

Molecular Properties

Compound Nametetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane
PubChem CID173221020
Molecular FormulaC23H51OPSi
Molecular Weight402.72 g/mol
Exact Mass402.34
IUPAC Nametetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane
SMILESCCCCP(CCCC)(CCCC)(CCCC)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C23H51OPSi/c1-7-11-19-25(20-12-8-2,21-13-9-3,22-14-10-4)23(26(5)6)17-15-16-18-24-23/h26H,7-22H2,1-6H3
InChIKeyWFDLFONAMUXMMS-UHFFFAOYSA-N
XLogP7.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.72
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane?
The IUPAC name of tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane (CID 173221020) is tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane.
What is the SMILES notation for tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane?
The canonical SMILES for tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane is CCCCP(CCCC)(CCCC)(CCCC)C1([SiH](C)C)CCCCO1.
What is the InChIKey of tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane?
The InChIKey is WFDLFONAMUXMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51OPSi/c1-7-11-19-25(20-12-8-2,21-13-9-3,22-14-10-4)23(26(5)6)17-15-16-18-24-23/h26H,7-22H2,1-6H3.
What are the key properties of tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane?
tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane has a molecular weight of 402.72 g/mol, XLogP of 7.66, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane is sourced from PubChem (CID 173221020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).