heptadecoxy-hexan-3-yloxy-diphenylsilane

C35H58O2Si — CID 91745287

IUPACheptadecoxy-hexan-3-yloxy-diphenylsilane
SMILESCCCCCCCCCCCCCCCCCO[Si](OC(CC)CCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H58O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-26-32-36-38(34-28-22-20-23-29-34,35-30-24-21-25-31-35)37-33(6-3)27-5-2/h20-25,28-31,33H,4-19,26-27,32H2,1-3H3
InChIKeyHTKXZYVLVUGNSY-UHFFFAOYSA-N
MW538.93 g/mol
LogP9.73
Rot. Bonds24

About heptadecoxy-hexan-3-yloxy-diphenylsilane

heptadecoxy-hexan-3-yloxy-diphenylsilane (PubChem CID 91745287) has the molecular formula C35H58O2Si and a molecular weight of 538.93 g/mol. Its IUPAC name is heptadecoxy-hexan-3-yloxy-diphenylsilane.

Molecular Properties

Compound Nameheptadecoxy-hexan-3-yloxy-diphenylsilane
PubChem CID91745287
Molecular FormulaC35H58O2Si
Molecular Weight538.93 g/mol
Exact Mass538.42
IUPAC Nameheptadecoxy-hexan-3-yloxy-diphenylsilane
SMILESCCCCCCCCCCCCCCCCCO[Si](OC(CC)CCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H58O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-26-32-36-38(34-28-22-20-23-29-34,35-30-24-21-25-31-35)37-33(6-3)27-5-2/h20-25,28-31,33H,4-19,26-27,32H2,1-3H3
InChIKeyHTKXZYVLVUGNSY-UHFFFAOYSA-N
XLogP9.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.93
LogP ≤ 59.73
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 heptadecoxy-hexan-3-yloxy-diphenylsilane 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

hexan-3-yloxy-diphenyl-undecoxysilane
CID 91743620
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
heptoxy-hexan-2-yloxy-diphenylsilane
CID 91741501
hexan-2-yloxy-octoxy-diphenylsilane
CID 91742037
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362
hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
CID 91733110
3-methylpentoxy-octoxy-diphenylsilane
CID 91732735
2-methylpentan-3-yloxy-pentoxy-diphenylsilane
CID 91740058
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
octoxy-pent-4-en-2-yloxy-diphenylsilane
CID 91742014
hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
CID 91732710

Frequently Asked Questions

What is the IUPAC name of heptadecoxy-hexan-3-yloxy-diphenylsilane?
The IUPAC name of heptadecoxy-hexan-3-yloxy-diphenylsilane (CID 91745287) is heptadecoxy-hexan-3-yloxy-diphenylsilane.
What is the SMILES notation for heptadecoxy-hexan-3-yloxy-diphenylsilane?
The canonical SMILES for heptadecoxy-hexan-3-yloxy-diphenylsilane is CCCCCCCCCCCCCCCCCO[Si](OC(CC)CCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of heptadecoxy-hexan-3-yloxy-diphenylsilane?
The InChIKey is HTKXZYVLVUGNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H58O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-26-32-36-38(34-28-22-20-23-29-34,35-30-24-21-25-31-35)37-33(6-3)27-5-2/h20-25,28-31,33H,4-19,26-27,32H2,1-3H3.
What are the key properties of heptadecoxy-hexan-3-yloxy-diphenylsilane?
heptadecoxy-hexan-3-yloxy-diphenylsilane has a molecular weight of 538.93 g/mol, XLogP of 9.73, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecoxy-hexan-3-yloxy-diphenylsilane is sourced from PubChem (CID 91745287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).