3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane

C18H40O2Si — CID 91741646

IUPAC3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane
SMILESCCC(C)(CCCC(C)C)O[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C18H40O2Si/c1-9-18(6,14-10-12-16(2)3)20-21(7,8)19-15-11-13-17(4)5/h16-17H,9-15H2,1-8H3
InChIKeyPSYDZWVCTDXZIF-UHFFFAOYSA-N
MW316.60 g/mol
LogP6.15
Rot. Bonds12

About 3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane

3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane (PubChem CID 91741646) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is 3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane.

Molecular Properties

Compound Name3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane
PubChem CID91741646
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Name3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane
SMILESCCC(C)(CCCC(C)C)O[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C18H40O2Si/c1-9-18(6,14-10-12-16(2)3)20-21(7,8)19-15-11-13-17(4)5/h16-17H,9-15H2,1-8H3
InChIKeyPSYDZWVCTDXZIF-UHFFFAOYSA-N
XLogP6.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 56.15
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
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
Octa-decyltrimethoxysilane
CID 129773342
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)isobutoxy-
CID 91721103
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)(2-ethylhexyloxy)-
CID 91721108
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)decyloxy-
CID 91721175
Silane, diethyl(6-ethyloct-3-yloxy)pentyloxy-
CID 91723826
Silane, dimethyl(2-decyloxy)isohexyloxy-
CID 91733279
Silane, dimethyl(2-octyloxy)isohexyloxy-
CID 91733285
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)isohexyloxy-
CID 91737021

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane?
The IUPAC name of 3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane (CID 91741646) is 3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane.
What is the SMILES notation for 3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane?
The canonical SMILES for 3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane is CCC(C)(CCCC(C)C)O[Si](C)(C)OCCCC(C)C.
What is the InChIKey of 3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane?
The InChIKey is PSYDZWVCTDXZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-9-18(6,14-10-12-16(2)3)20-21(7,8)19-15-11-13-17(4)5/h16-17H,9-15H2,1-8H3.
What are the key properties of 3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane?
3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane has a molecular weight of 316.60 g/mol, XLogP of 6.15, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloctan-3-yloxy-dimethyl-(4-methylpentoxy)silane is sourced from PubChem (CID 91741646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).