bis(3-methylpentoxy)-oxophosphanium

C12H26O3P+ — CID 174765578

IUPACbis(3-methylpentoxy)-oxophosphanium
SMILESCCC(C)CCO[P+](=O)OCCC(C)CC
InChIInChI=1S/C12H26O3P/c1-5-11(3)7-9-14-16(13)15-10-8-12(4)6-2/h11-12H,5-10H2,1-4H3/q+1
InChIKeyCNGZVGOUVLVNHC-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.55
Rot. Bonds10

About bis(3-methylpentoxy)-oxophosphanium

bis(3-methylpentoxy)-oxophosphanium (PubChem CID 174765578) has the molecular formula C12H26O3P+ and a molecular weight of 249.31 g/mol. Its IUPAC name is bis(3-methylpentoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(3-methylpentoxy)-oxophosphanium
PubChem CID174765578
Molecular FormulaC12H26O3P+
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Namebis(3-methylpentoxy)-oxophosphanium
SMILESCCC(C)CCO[P+](=O)OCCC(C)CC
InChIInChI=1S/C12H26O3P/c1-5-11(3)7-9-14-16(13)15-10-8-12(4)6-2/h11-12H,5-10H2,1-4H3/q+1
InChIKeyCNGZVGOUVLVNHC-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3-methylpentoxy)-oxophosphanium?
The IUPAC name of bis(3-methylpentoxy)-oxophosphanium (CID 174765578) is bis(3-methylpentoxy)-oxophosphanium.
What is the SMILES notation for bis(3-methylpentoxy)-oxophosphanium?
The canonical SMILES for bis(3-methylpentoxy)-oxophosphanium is CCC(C)CCO[P+](=O)OCCC(C)CC.
What is the InChIKey of bis(3-methylpentoxy)-oxophosphanium?
The InChIKey is CNGZVGOUVLVNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3P/c1-5-11(3)7-9-14-16(13)15-10-8-12(4)6-2/h11-12H,5-10H2,1-4H3/q+1.
What are the key properties of bis(3-methylpentoxy)-oxophosphanium?
bis(3-methylpentoxy)-oxophosphanium has a molecular weight of 249.31 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylpentoxy)-oxophosphanium is sourced from PubChem (CID 174765578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).