2,2-dimethyloxasilepane

C7H16OSi — CID 13088411

IUPAC2,2-dimethyloxasilepane
SMILESC[Si]1(C)CCCCCO1
InChIInChI=1S/C7H16OSi/c1-9(2)7-5-3-4-6-8-9/h3-7H2,1-2H3
InChIKeyDWPHIOWJFTXEMM-UHFFFAOYSA-N
MW144.29 g/mol
LogP2.39
Rot. Bonds

About 2,2-dimethyloxasilepane

2,2-dimethyloxasilepane (PubChem CID 13088411) has the molecular formula C7H16OSi and a molecular weight of 144.29 g/mol. Its IUPAC name is 2,2-dimethyloxasilepane.

Molecular Properties

Compound Name2,2-dimethyloxasilepane
PubChem CID13088411
Molecular FormulaC7H16OSi
Molecular Weight144.29 g/mol
Exact Mass144.10
IUPAC Name2,2-dimethyloxasilepane
SMILESC[Si]1(C)CCCCCO1
InChIInChI=1S/C7H16OSi/c1-9(2)7-5-3-4-6-8-9/h3-7H2,1-2H3
InChIKeyDWPHIOWJFTXEMM-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.29
LogP ≤ 52.39
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 2,2-dimethyloxasilepane?
The IUPAC name of 2,2-dimethyloxasilepane (CID 13088411) is 2,2-dimethyloxasilepane.
What is the SMILES notation for 2,2-dimethyloxasilepane?
The canonical SMILES for 2,2-dimethyloxasilepane is C[Si]1(C)CCCCCO1.
What is the InChIKey of 2,2-dimethyloxasilepane?
The InChIKey is DWPHIOWJFTXEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OSi/c1-9(2)7-5-3-4-6-8-9/h3-7H2,1-2H3.
What are the key properties of 2,2-dimethyloxasilepane?
2,2-dimethyloxasilepane has a molecular weight of 144.29 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxasilepane is sourced from PubChem (CID 13088411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).