diethyl-heptan-2-yloxy-(4-methylpentoxy)silane

C17H38O2Si — CID 91740255

IUPACdiethyl-heptan-2-yloxy-(4-methylpentoxy)silane
SMILESCCCCCC(C)O[Si](CC)(CC)OCCCC(C)C
InChIInChI=1S/C17H38O2Si/c1-7-10-11-14-17(6)19-20(8-2,9-3)18-15-12-13-16(4)5/h16-17H,7-15H2,1-6H3
InChIKeyNFCSYJNTPKVMLQ-UHFFFAOYSA-N
MW302.57 g/mol
LogP5.91
Rot. Bonds13

About diethyl-heptan-2-yloxy-(4-methylpentoxy)silane

diethyl-heptan-2-yloxy-(4-methylpentoxy)silane (PubChem CID 91740255) has the molecular formula C17H38O2Si and a molecular weight of 302.57 g/mol. Its IUPAC name is diethyl-heptan-2-yloxy-(4-methylpentoxy)silane.

Molecular Properties

Compound Namediethyl-heptan-2-yloxy-(4-methylpentoxy)silane
PubChem CID91740255
Molecular FormulaC17H38O2Si
Molecular Weight302.57 g/mol
Exact Mass302.26
IUPAC Namediethyl-heptan-2-yloxy-(4-methylpentoxy)silane
SMILESCCCCCC(C)O[Si](CC)(CC)OCCCC(C)C
InChIInChI=1S/C17H38O2Si/c1-7-10-11-14-17(6)19-20(8-2,9-3)18-15-12-13-16(4)5/h16-17H,7-15H2,1-6H3
InChIKeyNFCSYJNTPKVMLQ-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.57
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, dimethyldi(2-ethylhexyloxy)
CID 85694064
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
Silane, methylvinyldi(2-ethylhexyloxy)-
CID 23213487
6-Methylheptyl-tri(propan-2-yloxy)silane
CID 163237530
Silane, dimethyl(3-heptyloxy)isohexyloxy-
CID 91698390
Silane, diethyl(3,3-dimethylbut-2-yloxy)isohexyloxy-
CID 91698395
Silane, diethylisohexyloxy(4-methylpent-2-yloxy)-
CID 91698408
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethylisohexyloxy(4-octyloxy)-
CID 91698414
Silane, methylvinyl(2-ethylhexyloxy)isopropoxy-
CID 91699095
Silane, diethylisobutoxy(4-octyloxy)-
CID 91699659
Silane, diethyl(cis-4-methylcyclohexyloxy)(trans-4-methylcyclohexyloxy)-
CID 91699932

Frequently Asked Questions

What is the IUPAC name of diethyl-heptan-2-yloxy-(4-methylpentoxy)silane?
The IUPAC name of diethyl-heptan-2-yloxy-(4-methylpentoxy)silane (CID 91740255) is diethyl-heptan-2-yloxy-(4-methylpentoxy)silane.
What is the SMILES notation for diethyl-heptan-2-yloxy-(4-methylpentoxy)silane?
The canonical SMILES for diethyl-heptan-2-yloxy-(4-methylpentoxy)silane is CCCCCC(C)O[Si](CC)(CC)OCCCC(C)C.
What is the InChIKey of diethyl-heptan-2-yloxy-(4-methylpentoxy)silane?
The InChIKey is NFCSYJNTPKVMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-7-10-11-14-17(6)19-20(8-2,9-3)18-15-12-13-16(4)5/h16-17H,7-15H2,1-6H3.
What are the key properties of diethyl-heptan-2-yloxy-(4-methylpentoxy)silane?
diethyl-heptan-2-yloxy-(4-methylpentoxy)silane has a molecular weight of 302.57 g/mol, XLogP of 5.91, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-heptan-2-yloxy-(4-methylpentoxy)silane is sourced from PubChem (CID 91740255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).