[1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane

C18H31FO6Si3 — CID 140614936

IUPAC[1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane
SMILESC#C[Si](CCC(CC(CF)[Si](C#C)(OC)OC)[Si](C#C)(OC)OC)(OC)OC
InChIInChI=1S/C18H31FO6Si3/c1-10-26(20-4,21-5)14-13-17(27(11-2,22-6)23-7)15-18(16-19)28(12-3,24-8)25-9/h1-3,17-18H,13-16H2,4-9H3
InChIKeyNHQGLYBNEKARCV-UHFFFAOYSA-N
MW446.70 g/mol
LogP2.20
Rot. Bonds14

About [1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane

[1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane (PubChem CID 140614936) has the molecular formula C18H31FO6Si3 and a molecular weight of 446.70 g/mol. Its IUPAC name is [1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane.

Molecular Properties

Compound Name[1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane
PubChem CID140614936
Molecular FormulaC18H31FO6Si3
Molecular Weight446.70 g/mol
Exact Mass446.14
IUPAC Name[1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane
SMILESC#C[Si](CCC(CC(CF)[Si](C#C)(OC)OC)[Si](C#C)(OC)OC)(OC)OC
InChIInChI=1S/C18H31FO6Si3/c1-10-26(20-4,21-5)14-13-17(27(11-2,22-6)23-7)15-18(16-19)28(12-3,24-8)25-9/h1-3,17-18H,13-16H2,4-9H3
InChIKeyNHQGLYBNEKARCV-UHFFFAOYSA-N
XLogP2.20
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.70
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane 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 [1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane?
The IUPAC name of [1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane (CID 140614936) is [1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane.
What is the SMILES notation for [1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane?
The canonical SMILES for [1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane is C#C[Si](CCC(CC(CF)[Si](C#C)(OC)OC)[Si](C#C)(OC)OC)(OC)OC.
What is the InChIKey of [1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane?
The InChIKey is NHQGLYBNEKARCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FO6Si3/c1-10-26(20-4,21-5)14-13-17(27(11-2,22-6)23-7)15-18(16-19)28(12-3,24-8)25-9/h1-3,17-18H,13-16H2,4-9H3.
What are the key properties of [1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane?
[1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane has a molecular weight of 446.70 g/mol, XLogP of 2.20, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-bis[ethynyl(dimethoxy)silyl]-6-fluorohexan-3-yl]-ethynyl-dimethoxysilane is sourced from PubChem (CID 140614936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).