[(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane

C7H17OP — CID 59422496

IUPAC[(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane
SMILES[3H]POC[C@@H](CC)C(C)C
InChIInChI=1S/C7H17OP/c1-4-7(5-8-9)6(2)3/h6-7H,4-5,9H2,1-3H3/t7-/m1/s1/i9T/t7-,9?
InChIKeyABWPGSIZTVZRLP-BMQGUYJKSA-N
MW150.19 g/mol
LogP2.48
Rot. Bonds5

About [(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane

[(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane (PubChem CID 59422496) has the molecular formula C7H17OP and a molecular weight of 150.19 g/mol. Its IUPAC name is [(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane.

Molecular Properties

Compound Name[(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane
PubChem CID59422496
Molecular FormulaC7H17OP
Molecular Weight150.19 g/mol
Exact Mass150.11
IUPAC Name[(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane
SMILES[3H]POC[C@@H](CC)C(C)C
InChIInChI=1S/C7H17OP/c1-4-7(5-8-9)6(2)3/h6-7H,4-5,9H2,1-3H3/t7-/m1/s1/i9T/t7-,9?
InChIKeyABWPGSIZTVZRLP-BMQGUYJKSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane?
The IUPAC name of [(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane (CID 59422496) is [(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane.
What is the SMILES notation for [(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane?
The canonical SMILES for [(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane is [3H]POC[C@@H](CC)C(C)C.
What is the InChIKey of [(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane?
The InChIKey is ABWPGSIZTVZRLP-BMQGUYJKSA-N. The full InChI is InChI=1S/C7H17OP/c1-4-7(5-8-9)6(2)3/h6-7H,4-5,9H2,1-3H3/t7-/m1/s1/i9T/t7-,9?.
What are the key properties of [(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane?
[(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane has a molecular weight of 150.19 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-ethyl-3-methylbutoxy]-tritiophosphane is sourced from PubChem (CID 59422496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).