sodium bis(2-methylpropyl)phosphane

C8H19NaP+ — CID 172848163

IUPACsodium bis(2-methylpropyl)phosphane
SMILESCC(C)CPCC(C)C.[Na+]
InChIInChI=1S/C8H19P.Na/c1-7(2)5-9-6-8(3)4;/h7-9H,5-6H2,1-4H3;/q;+1
InChIKeyXSAUZNFHKJWJFT-UHFFFAOYSA-N
MW169.20 g/mol
LogP-0.02
Rot. Bonds4

About sodium bis(2-methylpropyl)phosphane

sodium bis(2-methylpropyl)phosphane (PubChem CID 172848163) has the molecular formula C8H19NaP+ and a molecular weight of 169.20 g/mol. Its IUPAC name is sodium bis(2-methylpropyl)phosphane.

Molecular Properties

Compound Namesodium bis(2-methylpropyl)phosphane
PubChem CID172848163
Molecular FormulaC8H19NaP+
Molecular Weight169.20 g/mol
Exact Mass169.11
IUPAC Namesodium bis(2-methylpropyl)phosphane
SMILESCC(C)CPCC(C)C.[Na+]
InChIInChI=1S/C8H19P.Na/c1-7(2)5-9-6-8(3)4;/h7-9H,5-6H2,1-4H3;/q;+1
InChIKeyXSAUZNFHKJWJFT-UHFFFAOYSA-N
XLogP-0.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2,5-dimethylhexyl)phosphane
CID 155095362
CID 88977069
CID 88977069
bis(2-methylpentyl)phosphane;hydrochloride
CID 155095340
bis(2,4,4-trimethylpentyl)phosphane
CID 19428770
sodium;2-methylpropan-1-ol;chloride
CID 172733950
1-[2-(2-sulfanylpropylphosphanyl)ethylphosphanyl]propane-2-thiol
CID 23414212
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
2,4-dimethylpentane
CID 157050020
ethyl-[(2S)-2-methylbutyl]phosphane
CID 161467403
2-methylbutane;nickel
CID 159021520
2,4-dimethylpentane;methane
CID 159476318

Frequently Asked Questions

What is the IUPAC name of sodium bis(2-methylpropyl)phosphane?
The IUPAC name of sodium bis(2-methylpropyl)phosphane (CID 172848163) is sodium bis(2-methylpropyl)phosphane.
What is the SMILES notation for sodium bis(2-methylpropyl)phosphane?
The canonical SMILES for sodium bis(2-methylpropyl)phosphane is CC(C)CPCC(C)C.[Na+].
What is the InChIKey of sodium bis(2-methylpropyl)phosphane?
The InChIKey is XSAUZNFHKJWJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19P.Na/c1-7(2)5-9-6-8(3)4;/h7-9H,5-6H2,1-4H3;/q;+1.
What are the key properties of sodium bis(2-methylpropyl)phosphane?
sodium bis(2-methylpropyl)phosphane has a molecular weight of 169.20 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium bis(2-methylpropyl)phosphane is sourced from PubChem (CID 172848163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).