2,4,4-trimethylpentoxyphosphane

C8H19OP — CID 140992070

IUPAC2,4,4-trimethylpentoxyphosphane
SMILESCC(COP)CC(C)(C)C
InChIInChI=1S/C8H19OP/c1-7(6-9-10)5-8(2,3)4/h7H,5-6,10H2,1-4H3
InChIKeyXQHQBPXJLFCVCS-UHFFFAOYSA-N
MW162.21 g/mol
LogP2.87
Rot. Bonds3

About 2,4,4-trimethylpentoxyphosphane

2,4,4-trimethylpentoxyphosphane (PubChem CID 140992070) has the molecular formula C8H19OP and a molecular weight of 162.21 g/mol. Its IUPAC name is 2,4,4-trimethylpentoxyphosphane.

Molecular Properties

Compound Name2,4,4-trimethylpentoxyphosphane
PubChem CID140992070
Molecular FormulaC8H19OP
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name2,4,4-trimethylpentoxyphosphane
SMILESCC(COP)CC(C)(C)C
InChIInChI=1S/C8H19OP/c1-7(6-9-10)5-8(2,3)4/h7H,5-6,10H2,1-4H3
InChIKeyXQHQBPXJLFCVCS-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
2,2,4,8,10,10-hexamethylundecane
CID 54023173
oxo-bis(2,4,4-trimethylpentoxy)phosphanium
CID 6327683
2,4,4-trimethylpentoxyphosphinous acid
CID 172700536
propane;2,4,4-trimethylpentylphosphane
CID 174469111
4,6,6-trimethyl-1-methylsulfanylheptane
CID 130294531
(4R)-2,2,4,8-tetramethylnonane
CID 140612986
(4S)-2,4,6,6-tetramethylheptan-2-amine
CID 167006603
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene
CID 90455432
hexane;2,2,4-trimethyloctane
CID 174278610

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylpentoxyphosphane?
The IUPAC name of 2,4,4-trimethylpentoxyphosphane (CID 140992070) is 2,4,4-trimethylpentoxyphosphane.
What is the SMILES notation for 2,4,4-trimethylpentoxyphosphane?
The canonical SMILES for 2,4,4-trimethylpentoxyphosphane is CC(COP)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethylpentoxyphosphane?
The InChIKey is XQHQBPXJLFCVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19OP/c1-7(6-9-10)5-8(2,3)4/h7H,5-6,10H2,1-4H3.
What are the key properties of 2,4,4-trimethylpentoxyphosphane?
2,4,4-trimethylpentoxyphosphane has a molecular weight of 162.21 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylpentoxyphosphane is sourced from PubChem (CID 140992070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).