3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane

C17H38O2Si — CID 91738245

IUPAC3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane
SMILESCCCCCCCO[Si](CC)(CC)OC(C)C(C)(C)C
InChIInChI=1S/C17H38O2Si/c1-8-11-12-13-14-15-18-20(9-2,10-3)19-16(4)17(5,6)7/h16H,8-15H2,1-7H3
InChIKeySFCOVRQJPDCDPH-UHFFFAOYSA-N
MW302.58 g/mol
LogP5.91
Rot. Bonds11

About 3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane

3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane (PubChem CID 91738245) has the molecular formula C17H38O2Si and a molecular weight of 302.58 g/mol. Its IUPAC name is 3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane.

Molecular Properties

Compound Name3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane
PubChem CID91738245
Molecular FormulaC17H38O2Si
Molecular Weight302.58 g/mol
Exact Mass302.26
IUPAC Name3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane
SMILESCCCCCCCO[Si](CC)(CC)OC(C)C(C)(C)C
InChIInChI=1S/C17H38O2Si/c1-8-11-12-13-14-15-18-20(9-2,10-3)19-16(4)17(5,6)7/h16H,8-15H2,1-7H3
InChIKeySFCOVRQJPDCDPH-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.58
LogP ≤ 55.91
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 3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane?
The IUPAC name of 3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane (CID 91738245) is 3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane.
What is the SMILES notation for 3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane?
The canonical SMILES for 3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane is CCCCCCCO[Si](CC)(CC)OC(C)C(C)(C)C.
What is the InChIKey of 3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane?
The InChIKey is SFCOVRQJPDCDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-8-11-12-13-14-15-18-20(9-2,10-3)19-16(4)17(5,6)7/h16H,8-15H2,1-7H3.
What are the key properties of 3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane?
3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane has a molecular weight of 302.58 g/mol, XLogP of 5.91, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-2-yloxy-diethyl-heptoxysilane is sourced from PubChem (CID 91738245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).