2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane

C17H36O3Si — CID 174472441

IUPAC2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane
SMILESCCC(C)C(CC)(CC)C1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C17H36O3Si/c1-8-15(4)16(9-2,10-3)17(18-5)13-11-12-14-21(17,19-6)20-7/h15H,8-14H2,1-7H3
InChIKeyFCHVVEGJFVPDRN-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.68
Rot. Bonds8

About 2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane

2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane (PubChem CID 174472441) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane.

Molecular Properties

Compound Name2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane
PubChem CID174472441
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane
SMILESCCC(C)C(CC)(CC)C1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C17H36O3Si/c1-8-15(4)16(9-2,10-3)17(18-5)13-11-12-14-21(17,19-6)20-7/h15H,8-14H2,1-7H3
InChIKeyFCHVVEGJFVPDRN-UHFFFAOYSA-N
XLogP4.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane?
The IUPAC name of 2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane (CID 174472441) is 2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane.
What is the SMILES notation for 2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane?
The canonical SMILES for 2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane is CCC(C)C(CC)(CC)C1(OC)CCCC[Si]1(OC)OC.
What is the InChIKey of 2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane?
The InChIKey is FCHVVEGJFVPDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-8-15(4)16(9-2,10-3)17(18-5)13-11-12-14-21(17,19-6)20-7/h15H,8-14H2,1-7H3.
What are the key properties of 2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane?
2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane has a molecular weight of 316.56 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylhexan-3-yl)-1,1,2-trimethoxysilinane is sourced from PubChem (CID 174472441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).