1-methyl-1-octan-4-yloxysilinane

C14H30OSi — CID 574962

IUPAC1-methyl-1-octan-4-yloxysilinane
SMILESCCCCC(CCC)O[Si]1(C)CCCCC1
InChIInChI=1S/C14H30OSi/c1-4-6-11-14(10-5-2)15-16(3)12-8-7-9-13-16/h14H,4-13H2,1-3H3
InChIKeyIUMBEFPBIUOIRK-UHFFFAOYSA-N
MW242.48 g/mol
LogP5.12
Rot. Bonds7

About 1-methyl-1-octan-4-yloxysilinane

1-methyl-1-octan-4-yloxysilinane (PubChem CID 574962) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is 1-methyl-1-octan-4-yloxysilinane.

Molecular Properties

Compound Name1-methyl-1-octan-4-yloxysilinane
PubChem CID574962
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name1-methyl-1-octan-4-yloxysilinane
SMILESCCCCC(CCC)O[Si]1(C)CCCCC1
InChIInChI=1S/C14H30OSi/c1-4-6-11-14(10-5-2)15-16(3)12-8-7-9-13-16/h14H,4-13H2,1-3H3
InChIKeyIUMBEFPBIUOIRK-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.48
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-methyl-1-octan-4-yloxysilinane?
The IUPAC name of 1-methyl-1-octan-4-yloxysilinane (CID 574962) is 1-methyl-1-octan-4-yloxysilinane.
What is the SMILES notation for 1-methyl-1-octan-4-yloxysilinane?
The canonical SMILES for 1-methyl-1-octan-4-yloxysilinane is CCCCC(CCC)O[Si]1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-octan-4-yloxysilinane?
The InChIKey is IUMBEFPBIUOIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi/c1-4-6-11-14(10-5-2)15-16(3)12-8-7-9-13-16/h14H,4-13H2,1-3H3.
What are the key properties of 1-methyl-1-octan-4-yloxysilinane?
1-methyl-1-octan-4-yloxysilinane has a molecular weight of 242.48 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-octan-4-yloxysilinane is sourced from PubChem (CID 574962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).