diethyl-heptoxy-(3-methylpentoxy)silane

C17H38O2Si — CID 91740260

IUPACdiethyl-heptoxy-(3-methylpentoxy)silane
SMILESCCCCCCCO[Si](CC)(CC)OCCC(C)CC
InChIInChI=1S/C17H38O2Si/c1-6-10-11-12-13-15-18-20(8-3,9-4)19-16-14-17(5)7-2/h17H,6-16H2,1-5H3
InChIKeyBYMVPTNEAMWMDW-UHFFFAOYSA-N
MW302.58 g/mol
LogP5.91
Rot. Bonds14

About diethyl-heptoxy-(3-methylpentoxy)silane

diethyl-heptoxy-(3-methylpentoxy)silane (PubChem CID 91740260) has the molecular formula C17H38O2Si and a molecular weight of 302.58 g/mol. Its IUPAC name is diethyl-heptoxy-(3-methylpentoxy)silane.

Molecular Properties

Compound Namediethyl-heptoxy-(3-methylpentoxy)silane
PubChem CID91740260
Molecular FormulaC17H38O2Si
Molecular Weight302.58 g/mol
Exact Mass302.26
IUPAC Namediethyl-heptoxy-(3-methylpentoxy)silane
SMILESCCCCCCCO[Si](CC)(CC)OCCC(C)CC
InChIInChI=1S/C17H38O2Si/c1-6-10-11-12-13-15-18-20(8-3,9-4)19-16-14-17(5)7-2/h17H,6-16H2,1-5H3
InChIKeyBYMVPTNEAMWMDW-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
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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Related Compounds

Silane, (decyloxy)(1,1-dimethylethyl)dimethyl-
CID 529143
Silane, (1,1-dimethylethyl)dimethyl(octadecyloxy)-
CID 529170
Tetradecyl tert-butyldimethylsilyl ether
CID 529187
Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
Diheptyloxydimethylsilane
CID 525743
Hexadecyl tert-butyldimethylsilyl ether
CID 529157
1,10-decanediol, tBDMS
CID 6430197
1,8-octanediol, tBDMS
CID 6430203
1-Triisopropylsilyloxyheptane
CID 615164
1-Dodecanol, DMTBS
CID 529148
Tert-butyl-heptadecoxy-dimethylsilane
CID 6429824
Tert-butyl-dimethyl-nonadecoxysilane
CID 6430216

Frequently Asked Questions

What is the IUPAC name of diethyl-heptoxy-(3-methylpentoxy)silane?
The IUPAC name of diethyl-heptoxy-(3-methylpentoxy)silane (CID 91740260) is diethyl-heptoxy-(3-methylpentoxy)silane.
What is the SMILES notation for diethyl-heptoxy-(3-methylpentoxy)silane?
The canonical SMILES for diethyl-heptoxy-(3-methylpentoxy)silane is CCCCCCCO[Si](CC)(CC)OCCC(C)CC.
What is the InChIKey of diethyl-heptoxy-(3-methylpentoxy)silane?
The InChIKey is BYMVPTNEAMWMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-6-10-11-12-13-15-18-20(8-3,9-4)19-16-14-17(5)7-2/h17H,6-16H2,1-5H3.
What are the key properties of diethyl-heptoxy-(3-methylpentoxy)silane?
diethyl-heptoxy-(3-methylpentoxy)silane has a molecular weight of 302.58 g/mol, XLogP of 5.91, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-heptoxy-(3-methylpentoxy)silane is sourced from PubChem (CID 91740260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).