6-methylheptyl(tripropoxy)silane

C17H38O3Si — CID 18778888

IUPAC6-methylheptyl(tripropoxy)silane
SMILESCCCO[Si](CCCCCC(C)C)(OCCC)OCCC
InChIInChI=1S/C17H38O3Si/c1-6-13-18-21(19-14-7-2,20-15-8-3)16-11-9-10-12-17(4)5/h17H,6-16H2,1-5H3
InChIKeyXIWJGZGXRUMQSE-UHFFFAOYSA-N
MW318.57 g/mol
LogP5.42
Rot. Bonds15

About 6-methylheptyl(tripropoxy)silane

6-methylheptyl(tripropoxy)silane (PubChem CID 18778888) has the molecular formula C17H38O3Si and a molecular weight of 318.57 g/mol. Its IUPAC name is 6-methylheptyl(tripropoxy)silane.

Molecular Properties

Compound Name6-methylheptyl(tripropoxy)silane
PubChem CID18778888
Molecular FormulaC17H38O3Si
Molecular Weight318.57 g/mol
Exact Mass318.26
IUPAC Name6-methylheptyl(tripropoxy)silane
SMILESCCCO[Si](CCCCCC(C)C)(OCCC)OCCC
InChIInChI=1S/C17H38O3Si/c1-6-13-18-21(19-14-7-2,20-15-8-3)16-11-9-10-12-17(4)5/h17H,6-16H2,1-5H3
InChIKeyXIWJGZGXRUMQSE-UHFFFAOYSA-N
XLogP5.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
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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Frequently Asked Questions

What is the IUPAC name of 6-methylheptyl(tripropoxy)silane?
The IUPAC name of 6-methylheptyl(tripropoxy)silane (CID 18778888) is 6-methylheptyl(tripropoxy)silane.
What is the SMILES notation for 6-methylheptyl(tripropoxy)silane?
The canonical SMILES for 6-methylheptyl(tripropoxy)silane is CCCO[Si](CCCCCC(C)C)(OCCC)OCCC.
What is the InChIKey of 6-methylheptyl(tripropoxy)silane?
The InChIKey is XIWJGZGXRUMQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si/c1-6-13-18-21(19-14-7-2,20-15-8-3)16-11-9-10-12-17(4)5/h17H,6-16H2,1-5H3.
What are the key properties of 6-methylheptyl(tripropoxy)silane?
6-methylheptyl(tripropoxy)silane has a molecular weight of 318.57 g/mol, XLogP of 5.42, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptyl(tripropoxy)silane is sourced from PubChem (CID 18778888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).