bis(3-methylbutoxy)-oxophosphanium

C10H22O3P+ — CID 6327591

IUPACbis(3-methylbutoxy)-oxophosphanium
SMILESCC(C)CCO[P+](=O)OCCC(C)C
InChIInChI=1S/C10H22O3P/c1-9(2)5-7-12-14(11)13-8-6-10(3)4/h9-10H,5-8H2,1-4H3/q+1
InChIKeyOBGWUPFFWHPNPS-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.77
Rot. Bonds8

About bis(3-methylbutoxy)-oxophosphanium

bis(3-methylbutoxy)-oxophosphanium (PubChem CID 6327591) has the molecular formula C10H22O3P+ and a molecular weight of 221.26 g/mol. Its IUPAC name is bis(3-methylbutoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(3-methylbutoxy)-oxophosphanium
PubChem CID6327591
Molecular FormulaC10H22O3P+
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Namebis(3-methylbutoxy)-oxophosphanium
SMILESCC(C)CCO[P+](=O)OCCC(C)C
InChIInChI=1S/C10H22O3P/c1-9(2)5-7-12-14(11)13-8-6-10(3)4/h9-10H,5-8H2,1-4H3/q+1
InChIKeyOBGWUPFFWHPNPS-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.77
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-methylbutoxy)-oxophosphanium?
The IUPAC name of bis(3-methylbutoxy)-oxophosphanium (CID 6327591) is bis(3-methylbutoxy)-oxophosphanium.
What is the SMILES notation for bis(3-methylbutoxy)-oxophosphanium?
The canonical SMILES for bis(3-methylbutoxy)-oxophosphanium is CC(C)CCO[P+](=O)OCCC(C)C.
What is the InChIKey of bis(3-methylbutoxy)-oxophosphanium?
The InChIKey is OBGWUPFFWHPNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3P/c1-9(2)5-7-12-14(11)13-8-6-10(3)4/h9-10H,5-8H2,1-4H3/q+1.
What are the key properties of bis(3-methylbutoxy)-oxophosphanium?
bis(3-methylbutoxy)-oxophosphanium has a molecular weight of 221.26 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbutoxy)-oxophosphanium is sourced from PubChem (CID 6327591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).