2,6-dimethyl-2-octyloxasilinane

C14H30OSi — CID 18698953

IUPAC2,6-dimethyl-2-octyloxasilinane
SMILESCCCCCCCC[Si]1(C)CCCC(C)O1
InChIInChI=1S/C14H30OSi/c1-4-5-6-7-8-9-12-16(3)13-10-11-14(2)15-16/h14H,4-13H2,1-3H3
InChIKeyDXHDOUKYLZFASB-UHFFFAOYSA-N
MW242.48 g/mol
LogP5.12
Rot. Bonds7

About 2,6-dimethyl-2-octyloxasilinane

2,6-dimethyl-2-octyloxasilinane (PubChem CID 18698953) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is 2,6-dimethyl-2-octyloxasilinane.

Molecular Properties

Compound Name2,6-dimethyl-2-octyloxasilinane
PubChem CID18698953
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name2,6-dimethyl-2-octyloxasilinane
SMILESCCCCCCCC[Si]1(C)CCCC(C)O1
InChIInChI=1S/C14H30OSi/c1-4-5-6-7-8-9-12-16(3)13-10-11-14(2)15-16/h14H,4-13H2,1-3H3
InChIKeyDXHDOUKYLZFASB-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': '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 2,6-dimethyl-2-octyloxasilinane?
The IUPAC name of 2,6-dimethyl-2-octyloxasilinane (CID 18698953) is 2,6-dimethyl-2-octyloxasilinane.
What is the SMILES notation for 2,6-dimethyl-2-octyloxasilinane?
The canonical SMILES for 2,6-dimethyl-2-octyloxasilinane is CCCCCCCC[Si]1(C)CCCC(C)O1.
What is the InChIKey of 2,6-dimethyl-2-octyloxasilinane?
The InChIKey is DXHDOUKYLZFASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi/c1-4-5-6-7-8-9-12-16(3)13-10-11-14(2)15-16/h14H,4-13H2,1-3H3.
What are the key properties of 2,6-dimethyl-2-octyloxasilinane?
2,6-dimethyl-2-octyloxasilinane 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 2,6-dimethyl-2-octyloxasilinane is sourced from PubChem (CID 18698953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).