6-methylheptyl-tri(propan-2-yloxy)silane

C17H38O3Si — CID 163237530

IUPAC6-methylheptyl-tri(propan-2-yloxy)silane
SMILESCC(C)CCCCC[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C17H38O3Si/c1-14(2)12-10-9-11-13-21(18-15(3)4,19-16(5)6)20-17(7)8/h14-17H,9-13H2,1-8H3
InChIKeyREGWDMDHZUDISH-UHFFFAOYSA-N
MW318.57 g/mol
LogP5.42
Rot. Bonds12

About 6-methylheptyl-tri(propan-2-yloxy)silane

6-methylheptyl-tri(propan-2-yloxy)silane (PubChem CID 163237530) has the molecular formula C17H38O3Si and a molecular weight of 318.57 g/mol. Its IUPAC name is 6-methylheptyl-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name6-methylheptyl-tri(propan-2-yloxy)silane
PubChem CID163237530
Molecular FormulaC17H38O3Si
Molecular Weight318.57 g/mol
Exact Mass318.26
IUPAC Name6-methylheptyl-tri(propan-2-yloxy)silane
SMILESCC(C)CCCCC[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C17H38O3Si/c1-14(2)12-10-9-11-13-21(18-15(3)4,19-16(5)6)20-17(7)8/h14-17H,9-13H2,1-8H3
InChIKeyREGWDMDHZUDISH-UHFFFAOYSA-N
XLogP5.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.57
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Isooctyltriethoxysilane
CID 22508313
Isononyltriethoxysilane
CID 129808854
6-Methylheptyl(tripropoxy)silane
CID 18778888
Silane, diethylisohexyloxy(4-octyloxy)-
CID 91698414
Silane, diethylisobutoxy(2-methylpent-3-yloxy)-
CID 91699875
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, diethyl(6-ethyloct-3-yloxy)pentyloxy-
CID 91723826
Silane, diethyldi(2-methylpent-3-yloxy)-
CID 91739196
Silane, diethyldi(4-methylpent-2-yloxy)-
CID 91739220
Silane, diethyl(2-heptyloxy)isohexyloxy-
CID 91740255
Silane, diethyl(3-heptyloxy)isohexyloxy-
CID 91740256
Silane, diethyldi(6-ethyloct-3-yloxy)-
CID 91744129

Frequently Asked Questions

What is the IUPAC name of 6-methylheptyl-tri(propan-2-yloxy)silane?
The IUPAC name of 6-methylheptyl-tri(propan-2-yloxy)silane (CID 163237530) is 6-methylheptyl-tri(propan-2-yloxy)silane.
What is the SMILES notation for 6-methylheptyl-tri(propan-2-yloxy)silane?
The canonical SMILES for 6-methylheptyl-tri(propan-2-yloxy)silane is CC(C)CCCCC[Si](OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 6-methylheptyl-tri(propan-2-yloxy)silane?
The InChIKey is REGWDMDHZUDISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si/c1-14(2)12-10-9-11-13-21(18-15(3)4,19-16(5)6)20-17(7)8/h14-17H,9-13H2,1-8H3.
What are the key properties of 6-methylheptyl-tri(propan-2-yloxy)silane?
6-methylheptyl-tri(propan-2-yloxy)silane has a molecular weight of 318.57 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptyl-tri(propan-2-yloxy)silane is sourced from PubChem (CID 163237530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).