2,5,5-trimethyl-1-phosphorosooxyhexane

C9H19O2P — CID 20730712

IUPAC2,5,5-trimethyl-1-phosphorosooxyhexane
SMILESCC(CCC(C)(C)C)COP=O
InChIInChI=1S/C9H19O2P/c1-8(7-11-12-10)5-6-9(2,3)4/h8H,5-7H2,1-4H3
InChIKeyUGFOWEQAPYFUJZ-UHFFFAOYSA-N
MW190.22 g/mol
LogP3.67
Rot. Bonds5

About 2,5,5-trimethyl-1-phosphorosooxyhexane

2,5,5-trimethyl-1-phosphorosooxyhexane (PubChem CID 20730712) has the molecular formula C9H19O2P and a molecular weight of 190.22 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-phosphorosooxyhexane.

Molecular Properties

Compound Name2,5,5-trimethyl-1-phosphorosooxyhexane
PubChem CID20730712
Molecular FormulaC9H19O2P
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name2,5,5-trimethyl-1-phosphorosooxyhexane
SMILESCC(CCC(C)(C)C)COP=O
InChIInChI=1S/C9H19O2P/c1-8(7-11-12-10)5-6-9(2,3)4/h8H,5-7H2,1-4H3
InChIKeyUGFOWEQAPYFUJZ-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-phosphorosooxyhexane?
The IUPAC name of 2,5,5-trimethyl-1-phosphorosooxyhexane (CID 20730712) is 2,5,5-trimethyl-1-phosphorosooxyhexane.
What is the SMILES notation for 2,5,5-trimethyl-1-phosphorosooxyhexane?
The canonical SMILES for 2,5,5-trimethyl-1-phosphorosooxyhexane is CC(CCC(C)(C)C)COP=O.
What is the InChIKey of 2,5,5-trimethyl-1-phosphorosooxyhexane?
The InChIKey is UGFOWEQAPYFUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O2P/c1-8(7-11-12-10)5-6-9(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2,5,5-trimethyl-1-phosphorosooxyhexane?
2,5,5-trimethyl-1-phosphorosooxyhexane has a molecular weight of 190.22 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-phosphorosooxyhexane is sourced from PubChem (CID 20730712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).