heptyl-dimethoxy-undecylsilane

C20H44O2Si — CID 139614038

IUPACheptyl-dimethoxy-undecylsilane
SMILESCCCCCCCCCCC[Si](CCCCCCC)(OC)OC
InChIInChI=1S/C20H44O2Si/c1-5-7-9-11-12-13-14-16-18-20-23(21-3,22-4)19-17-15-10-8-6-2/h5-20H2,1-4H3
InChIKeyPOBQVLWVUSEJRB-UHFFFAOYSA-N
MW344.66 g/mol
LogP7.22
Rot. Bonds18

About heptyl-dimethoxy-undecylsilane

heptyl-dimethoxy-undecylsilane (PubChem CID 139614038) has the molecular formula C20H44O2Si and a molecular weight of 344.66 g/mol. Its IUPAC name is heptyl-dimethoxy-undecylsilane.

Molecular Properties

Compound Nameheptyl-dimethoxy-undecylsilane
PubChem CID139614038
Molecular FormulaC20H44O2Si
Molecular Weight344.66 g/mol
Exact Mass344.31
IUPAC Nameheptyl-dimethoxy-undecylsilane
SMILESCCCCCCCCCCC[Si](CCCCCCC)(OC)OC
InChIInChI=1S/C20H44O2Si/c1-5-7-9-11-12-13-14-16-18-20-23(21-3,22-4)19-17-15-10-8-6-2/h5-20H2,1-4H3
InChIKeyPOBQVLWVUSEJRB-UHFFFAOYSA-N
XLogP7.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.66
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze heptyl-dimethoxy-undecylsilane 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

dimethoxy-nonadecyl-nonylsilane
CID 139614040
dimethoxy-octyl-pentylsilane
CID 139614094
hexyl-dimethoxy-nonadecylsilane
CID 139614220
dimethoxy-pentadecyl-undecylsilane
CID 139614261
hexyl-dimethoxy-undecylsilane
CID 139614316
dimethoxy-nonyl-tridecylsilane
CID 139614257
dimethoxy-nonadecyl-pentadecylsilane
CID 139614324
hexadecyl-icosyl-dimethoxysilane
CID 139614225
butyl-decyl-dimethoxysilane
CID 141135588
butyl-dimethoxy-tetradecylsilane
CID 139614249
8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane
CID 87498284
decyl-dimethoxy-(trimethoxysilylmethyl)silane
CID 90416169

Frequently Asked Questions

What is the IUPAC name of heptyl-dimethoxy-undecylsilane?
The IUPAC name of heptyl-dimethoxy-undecylsilane (CID 139614038) is heptyl-dimethoxy-undecylsilane.
What is the SMILES notation for heptyl-dimethoxy-undecylsilane?
The canonical SMILES for heptyl-dimethoxy-undecylsilane is CCCCCCCCCCC[Si](CCCCCCC)(OC)OC.
What is the InChIKey of heptyl-dimethoxy-undecylsilane?
The InChIKey is POBQVLWVUSEJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O2Si/c1-5-7-9-11-12-13-14-16-18-20-23(21-3,22-4)19-17-15-10-8-6-2/h5-20H2,1-4H3.
What are the key properties of heptyl-dimethoxy-undecylsilane?
heptyl-dimethoxy-undecylsilane has a molecular weight of 344.66 g/mol, XLogP of 7.22, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl-dimethoxy-undecylsilane is sourced from PubChem (CID 139614038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).