heptan-2-yloxy-heptoxy-dimethylsilane

C16H36O2Si — CID 91735230

IUPACheptan-2-yloxy-heptoxy-dimethylsilane
SMILESCCCCCCCO[Si](C)(C)OC(C)CCCCC
InChIInChI=1S/C16H36O2Si/c1-6-8-10-11-13-15-17-19(4,5)18-16(3)14-12-9-7-2/h16H,6-15H2,1-5H3
InChIKeySLNWWIKUNRZZTQ-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.66
Rot. Bonds13

About heptan-2-yloxy-heptoxy-dimethylsilane

heptan-2-yloxy-heptoxy-dimethylsilane (PubChem CID 91735230) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is heptan-2-yloxy-heptoxy-dimethylsilane.

Molecular Properties

Compound Nameheptan-2-yloxy-heptoxy-dimethylsilane
PubChem CID91735230
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Nameheptan-2-yloxy-heptoxy-dimethylsilane
SMILESCCCCCCCO[Si](C)(C)OC(C)CCCCC
InChIInChI=1S/C16H36O2Si/c1-6-8-10-11-13-15-17-19(4,5)18-16(3)14-12-9-7-2/h16H,6-15H2,1-5H3
InChIKeySLNWWIKUNRZZTQ-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.55
LogP ≤ 55.66
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'}

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Frequently Asked Questions

What is the IUPAC name of heptan-2-yloxy-heptoxy-dimethylsilane?
The IUPAC name of heptan-2-yloxy-heptoxy-dimethylsilane (CID 91735230) is heptan-2-yloxy-heptoxy-dimethylsilane.
What is the SMILES notation for heptan-2-yloxy-heptoxy-dimethylsilane?
The canonical SMILES for heptan-2-yloxy-heptoxy-dimethylsilane is CCCCCCCO[Si](C)(C)OC(C)CCCCC.
What is the InChIKey of heptan-2-yloxy-heptoxy-dimethylsilane?
The InChIKey is SLNWWIKUNRZZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-6-8-10-11-13-15-17-19(4,5)18-16(3)14-12-9-7-2/h16H,6-15H2,1-5H3.
What are the key properties of heptan-2-yloxy-heptoxy-dimethylsilane?
heptan-2-yloxy-heptoxy-dimethylsilane has a molecular weight of 288.55 g/mol, XLogP of 5.66, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-2-yloxy-heptoxy-dimethylsilane is sourced from PubChem (CID 91735230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).