diethoxy(4-thiophen-2-ylbutyl)phosphane

C12H21O2PS — CID 58371189

IUPACdiethoxy(4-thiophen-2-ylbutyl)phosphane
SMILESCCOP(CCCCc1cccs1)OCC
InChIInChI=1S/C12H21O2PS/c1-3-13-15(14-4-2)10-6-5-8-12-9-7-11-16-12/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyPQRQHENZSKLKJD-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.46
Rot. Bonds9

About diethoxy(4-thiophen-2-ylbutyl)phosphane

diethoxy(4-thiophen-2-ylbutyl)phosphane (PubChem CID 58371189) has the molecular formula C12H21O2PS and a molecular weight of 260.34 g/mol. Its IUPAC name is diethoxy(4-thiophen-2-ylbutyl)phosphane.

Molecular Properties

Compound Namediethoxy(4-thiophen-2-ylbutyl)phosphane
PubChem CID58371189
Molecular FormulaC12H21O2PS
Molecular Weight260.34 g/mol
Exact Mass260.10
IUPAC Namediethoxy(4-thiophen-2-ylbutyl)phosphane
SMILESCCOP(CCCCc1cccs1)OCC
InChIInChI=1S/C12H21O2PS/c1-3-13-15(14-4-2)10-6-5-8-12-9-7-11-16-12/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyPQRQHENZSKLKJD-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diethoxy(4-thiophen-2-ylbutyl)phosphane 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

2-Thienyldifluoromethylphosphonic acid diethyl ester
CID 10516159
2-[(Z)-2-diethoxyphosphoryl-1-fluorobut-1-enyl]thiophene
CID 178338884
Diethyl (thiophen-2-ylethynyl)phosphonate
CID 11075673
2-[(Z)-2-diethoxyphosphorylethenyl]thiophene
CID 122219694
Diethyl ((thiophen-2-yl)methyl)phosphonate
CID 4185897
2-(1-Dimethoxyphosphorylethenyl)thiophene
CID 166437016
(E)-4-diethoxyphosphoryl-5-thiophen-2-ylpent-4-en-2-one
CID 5469421
(Z)-4-diethoxyphosphoryl-5-(2-thienyl)pent-4-en-2-one
CID 6477557
CID 5383939
CID 5383939
2-(Diethoxyphosphorylmethyl)-5-thiophen-2-ylthiophene
CID 57553072
Diethyl(5-hexylthiophen-2-yl)methylphosphonate
CID 11809303
Butyl phenyl(2-thienyl)phosphinate
CID 13086840

Frequently Asked Questions

What is the IUPAC name of diethoxy(4-thiophen-2-ylbutyl)phosphane?
The IUPAC name of diethoxy(4-thiophen-2-ylbutyl)phosphane (CID 58371189) is diethoxy(4-thiophen-2-ylbutyl)phosphane.
What is the SMILES notation for diethoxy(4-thiophen-2-ylbutyl)phosphane?
The canonical SMILES for diethoxy(4-thiophen-2-ylbutyl)phosphane is CCOP(CCCCc1cccs1)OCC.
What is the InChIKey of diethoxy(4-thiophen-2-ylbutyl)phosphane?
The InChIKey is PQRQHENZSKLKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O2PS/c1-3-13-15(14-4-2)10-6-5-8-12-9-7-11-16-12/h7,9,11H,3-6,8,10H2,1-2H3.
What are the key properties of diethoxy(4-thiophen-2-ylbutyl)phosphane?
diethoxy(4-thiophen-2-ylbutyl)phosphane has a molecular weight of 260.34 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(4-thiophen-2-ylbutyl)phosphane is sourced from PubChem (CID 58371189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).