4-methylpentoxy-tris(2-methylpropyl)silane

C18H40OSi — CID 604595

IUPAC4-methylpentoxy-tris(2-methylpropyl)silane
SMILESCC(C)CCCO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C18H40OSi/c1-15(2)10-9-11-19-20(12-16(3)4,13-17(5)6)14-18(7)8/h15-18H,9-14H2,1-8H3
InChIKeyJZMXBCJPDMKVBT-UHFFFAOYSA-N
MW300.60 g/mol
LogP6.35
Rot. Bonds11

About 4-methylpentoxy-tris(2-methylpropyl)silane

4-methylpentoxy-tris(2-methylpropyl)silane (PubChem CID 604595) has the molecular formula C18H40OSi and a molecular weight of 300.60 g/mol. Its IUPAC name is 4-methylpentoxy-tris(2-methylpropyl)silane.

Molecular Properties

Compound Name4-methylpentoxy-tris(2-methylpropyl)silane
PubChem CID604595
Molecular FormulaC18H40OSi
Molecular Weight300.60 g/mol
Exact Mass300.28
IUPAC Name4-methylpentoxy-tris(2-methylpropyl)silane
SMILESCC(C)CCCO[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C18H40OSi/c1-15(2)10-9-11-19-20(12-16(3)4,13-17(5)6)14-18(7)8/h15-18H,9-14H2,1-8H3
InChIKeyJZMXBCJPDMKVBT-UHFFFAOYSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.60
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-methylpentoxy-tris(2-methylpropyl)silane?
The IUPAC name of 4-methylpentoxy-tris(2-methylpropyl)silane (CID 604595) is 4-methylpentoxy-tris(2-methylpropyl)silane.
What is the SMILES notation for 4-methylpentoxy-tris(2-methylpropyl)silane?
The canonical SMILES for 4-methylpentoxy-tris(2-methylpropyl)silane is CC(C)CCCO[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of 4-methylpentoxy-tris(2-methylpropyl)silane?
The InChIKey is JZMXBCJPDMKVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40OSi/c1-15(2)10-9-11-19-20(12-16(3)4,13-17(5)6)14-18(7)8/h15-18H,9-14H2,1-8H3.
What are the key properties of 4-methylpentoxy-tris(2-methylpropyl)silane?
4-methylpentoxy-tris(2-methylpropyl)silane has a molecular weight of 300.60 g/mol, XLogP of 6.35, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentoxy-tris(2-methylpropyl)silane is sourced from PubChem (CID 604595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).