4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol

C13H31FO7Si2 — CID 123336440

IUPAC4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol
SMILESCO[Si](CCCC(O)(F)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C13H31FO7Si2/c1-16-22(17-2,18-3)11-7-9-13(14,15)10-8-12-23(19-4,20-5)21-6/h15H,7-12H2,1-6H3
InChIKeyYUDMJTUBZUNIOT-UHFFFAOYSA-N
MW374.55 g/mol
LogP1.96
Rot. Bonds14

About 4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol

4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol (PubChem CID 123336440) has the molecular formula C13H31FO7Si2 and a molecular weight of 374.55 g/mol. Its IUPAC name is 4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol.

Molecular Properties

Compound Name4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol
PubChem CID123336440
Molecular FormulaC13H31FO7Si2
Molecular Weight374.55 g/mol
Exact Mass374.16
IUPAC Name4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol
SMILESCO[Si](CCCC(O)(F)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C13H31FO7Si2/c1-16-22(17-2,18-3)11-7-9-13(14,15)10-8-12-23(19-4,20-5)21-6/h15H,7-12H2,1-6H3
InChIKeyYUDMJTUBZUNIOT-UHFFFAOYSA-N
XLogP1.96
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol 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 4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol?
The IUPAC name of 4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol (CID 123336440) is 4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol.
What is the SMILES notation for 4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol?
The canonical SMILES for 4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol is CO[Si](CCCC(O)(F)CCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol?
The InChIKey is YUDMJTUBZUNIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31FO7Si2/c1-16-22(17-2,18-3)11-7-9-13(14,15)10-8-12-23(19-4,20-5)21-6/h15H,7-12H2,1-6H3.
What are the key properties of 4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol?
4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol has a molecular weight of 374.55 g/mol, XLogP of 1.96, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,7-bis(trimethoxysilyl)heptan-4-ol is sourced from PubChem (CID 123336440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).