3,5,5-trimethyl-1-phosphorosooxyhexane

C9H19O2P — CID 18724905

IUPAC3,5,5-trimethyl-1-phosphorosooxyhexane
SMILESCC(CCOP=O)CC(C)(C)C
InChIInChI=1S/C9H19O2P/c1-8(5-6-11-12-10)7-9(2,3)4/h8H,5-7H2,1-4H3
InChIKeyKWCROPLZDZPKTD-UHFFFAOYSA-N
MW190.22 g/mol
LogP3.67
Rot. Bonds5

About 3,5,5-trimethyl-1-phosphorosooxyhexane

3,5,5-trimethyl-1-phosphorosooxyhexane (PubChem CID 18724905) has the molecular formula C9H19O2P and a molecular weight of 190.22 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-phosphorosooxyhexane.

Molecular Properties

Compound Name3,5,5-trimethyl-1-phosphorosooxyhexane
PubChem CID18724905
Molecular FormulaC9H19O2P
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name3,5,5-trimethyl-1-phosphorosooxyhexane
SMILESCC(CCOP=O)CC(C)(C)C
InChIInChI=1S/C9H19O2P/c1-8(5-6-11-12-10)7-9(2,3)4/h8H,5-7H2,1-4H3
InChIKeyKWCROPLZDZPKTD-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3,5,5-trimethyl-1-[2-(3,5,5-trimethylhexoxy)propan-2-yloxy]hexane
CID 141134456
3-methyl-1-phosphorosooxybutane;tris(yttrium)
CID 59595514
1-ethoxy-3,5,5-trimethylhexane
CID 22002848
3,5,5-trimethyl-1-[3-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]propoxy]hexane
CID 58682902
3,5,5-trimethyl-1-(2-propan-2-yloxyethoxy)hexane
CID 138626060
2-(3,5,5-trimethylhexoxy)ethanol
CID 54373855
2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
CID 545734
2,5-dimethylbenzene-1,4-diol;dioctyl 5-methylbenzene-1,3-dicarboxylate;3,5,5-trimethyl-1-phosphorosooxyhexane
CID 91614039
2,2,4,8,10,10-hexamethylundecane
CID 54023173
2,4,6-tris(3,5,5-trimethylhexoxy)-1,3,5-triazine
CID 633352
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
3,5,5-trimethylhexoxy(3,5,5-trimethylhexyl)phosphinic acid
CID 57284798

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-phosphorosooxyhexane?
The IUPAC name of 3,5,5-trimethyl-1-phosphorosooxyhexane (CID 18724905) is 3,5,5-trimethyl-1-phosphorosooxyhexane.
What is the SMILES notation for 3,5,5-trimethyl-1-phosphorosooxyhexane?
The canonical SMILES for 3,5,5-trimethyl-1-phosphorosooxyhexane is CC(CCOP=O)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-1-phosphorosooxyhexane?
The InChIKey is KWCROPLZDZPKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O2P/c1-8(5-6-11-12-10)7-9(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 3,5,5-trimethyl-1-phosphorosooxyhexane?
3,5,5-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 3,5,5-trimethyl-1-phosphorosooxyhexane is sourced from PubChem (CID 18724905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).