propane;2,4,4-trimethylpentylphosphane

C11H27P — CID 174469111

IUPACpropane;2,4,4-trimethylpentylphosphane
SMILESCC(CP)CC(C)(C)C.CCC
InChIInChI=1S/C8H19P.C3H8/c1-7(6-9)5-8(2,3)4;1-3-2/h7H,5-6,9H2,1-4H3;3H2,1-2H3
InChIKeyDCRQAFRYOCODDD-UHFFFAOYSA-N
MW190.31 g/mol
LogP4.35
Rot. Bonds2

About propane;2,4,4-trimethylpentylphosphane

propane;2,4,4-trimethylpentylphosphane (PubChem CID 174469111) has the molecular formula C11H27P and a molecular weight of 190.31 g/mol. Its IUPAC name is propane;2,4,4-trimethylpentylphosphane.

Molecular Properties

Compound Namepropane;2,4,4-trimethylpentylphosphane
PubChem CID174469111
Molecular FormulaC11H27P
Molecular Weight190.31 g/mol
Exact Mass190.19
IUPAC Namepropane;2,4,4-trimethylpentylphosphane
SMILESCC(CP)CC(C)(C)C.CCC
InChIInChI=1S/C8H19P.C3H8/c1-7(6-9)5-8(2,3)4;1-3-2/h7H,5-6,9H2,1-4H3;3H2,1-2H3
InChIKeyDCRQAFRYOCODDD-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze propane;2,4,4-trimethylpentylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
2,4,4-trimethylpentoxyphosphane
CID 140992070
(4S)-2,4,6,6-tetramethylheptan-2-amine
CID 167006603
2,2,4,8,10,10-hexamethylundecane
CID 54023173
hexane;2,2,4-trimethyloctane
CID 174278610
Aluminum, hydrobis(2,4,4-trimethylpentyl)-
CID 16684520
CID 102521820
CID 102521820
lithium 2,2,4-trimethylhexane
CID 19358976
bis(2,4,4-trimethylpentyl)phosphane
CID 19428770
(2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane
CID 146450949

Frequently Asked Questions

What is the IUPAC name of propane;2,4,4-trimethylpentylphosphane?
The IUPAC name of propane;2,4,4-trimethylpentylphosphane (CID 174469111) is propane;2,4,4-trimethylpentylphosphane.
What is the SMILES notation for propane;2,4,4-trimethylpentylphosphane?
The canonical SMILES for propane;2,4,4-trimethylpentylphosphane is CC(CP)CC(C)(C)C.CCC.
What is the InChIKey of propane;2,4,4-trimethylpentylphosphane?
The InChIKey is DCRQAFRYOCODDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19P.C3H8/c1-7(6-9)5-8(2,3)4;1-3-2/h7H,5-6,9H2,1-4H3;3H2,1-2H3.
What are the key properties of propane;2,4,4-trimethylpentylphosphane?
propane;2,4,4-trimethylpentylphosphane has a molecular weight of 190.31 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2,4,4-trimethylpentylphosphane is sourced from PubChem (CID 174469111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).