5-methylhexyl acetate;trimethyl(2-methylpropyl)silane

C16H36O2Si — CID 123610490

IUPAC5-methylhexyl acetate;trimethyl(2-methylpropyl)silane
SMILESCC(=O)OCCCCC(C)C.CC(C)C[Si](C)(C)C
InChIInChI=1S/C9H18O2.C7H18Si/c1-8(2)6-4-5-7-11-9(3)10;1-7(2)6-8(3,4)5/h8H,4-7H2,1-3H3;7H,6H2,1-5H3
InChIKeyHRJWVDWGFZQWQG-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.36
Rot. Bonds7

About 5-methylhexyl acetate;trimethyl(2-methylpropyl)silane

5-methylhexyl acetate;trimethyl(2-methylpropyl)silane (PubChem CID 123610490) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is 5-methylhexyl acetate;trimethyl(2-methylpropyl)silane.

Molecular Properties

Compound Name5-methylhexyl acetate;trimethyl(2-methylpropyl)silane
PubChem CID123610490
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Name5-methylhexyl acetate;trimethyl(2-methylpropyl)silane
SMILESCC(=O)OCCCCC(C)C.CC(C)C[Si](C)(C)C
InChIInChI=1S/C9H18O2.C7H18Si/c1-8(2)6-4-5-7-11-9(3)10;1-7(2)6-8(3,4)5/h8H,4-7H2,1-3H3;7H,6H2,1-5H3
InChIKeyHRJWVDWGFZQWQG-UHFFFAOYSA-N
XLogP5.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.55
LogP ≤ 55.36
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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Frequently Asked Questions

What is the IUPAC name of 5-methylhexyl acetate;trimethyl(2-methylpropyl)silane?
The IUPAC name of 5-methylhexyl acetate;trimethyl(2-methylpropyl)silane (CID 123610490) is 5-methylhexyl acetate;trimethyl(2-methylpropyl)silane.
What is the SMILES notation for 5-methylhexyl acetate;trimethyl(2-methylpropyl)silane?
The canonical SMILES for 5-methylhexyl acetate;trimethyl(2-methylpropyl)silane is CC(=O)OCCCCC(C)C.CC(C)C[Si](C)(C)C.
What is the InChIKey of 5-methylhexyl acetate;trimethyl(2-methylpropyl)silane?
The InChIKey is HRJWVDWGFZQWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C7H18Si/c1-8(2)6-4-5-7-11-9(3)10;1-7(2)6-8(3,4)5/h8H,4-7H2,1-3H3;7H,6H2,1-5H3.
What are the key properties of 5-methylhexyl acetate;trimethyl(2-methylpropyl)silane?
5-methylhexyl acetate;trimethyl(2-methylpropyl)silane has a molecular weight of 288.55 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhexyl acetate;trimethyl(2-methylpropyl)silane is sourced from PubChem (CID 123610490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).