6-heptan-2-yl-2,2-dimethyloxasilinane

C13H28OSi — CID 66800701

IUPAC6-heptan-2-yl-2,2-dimethyloxasilinane
SMILESCCCCCC(C)C1CCC[Si](C)(C)O1
InChIInChI=1S/C13H28OSi/c1-5-6-7-9-12(2)13-10-8-11-15(3,4)14-13/h12-13H,5-11H2,1-4H3
InChIKeyFSGBDMUYOWFRMA-UHFFFAOYSA-N
MW228.45 g/mol
LogP4.59
Rot. Bonds5

About 6-heptan-2-yl-2,2-dimethyloxasilinane

6-heptan-2-yl-2,2-dimethyloxasilinane (PubChem CID 66800701) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is 6-heptan-2-yl-2,2-dimethyloxasilinane.

Molecular Properties

Compound Name6-heptan-2-yl-2,2-dimethyloxasilinane
PubChem CID66800701
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name6-heptan-2-yl-2,2-dimethyloxasilinane
SMILESCCCCCC(C)C1CCC[Si](C)(C)O1
InChIInChI=1S/C13H28OSi/c1-5-6-7-9-12(2)13-10-8-11-15(3,4)14-13/h12-13H,5-11H2,1-4H3
InChIKeyFSGBDMUYOWFRMA-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.59
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 6-heptan-2-yl-2,2-dimethyloxasilinane?
The IUPAC name of 6-heptan-2-yl-2,2-dimethyloxasilinane (CID 66800701) is 6-heptan-2-yl-2,2-dimethyloxasilinane.
What is the SMILES notation for 6-heptan-2-yl-2,2-dimethyloxasilinane?
The canonical SMILES for 6-heptan-2-yl-2,2-dimethyloxasilinane is CCCCCC(C)C1CCC[Si](C)(C)O1.
What is the InChIKey of 6-heptan-2-yl-2,2-dimethyloxasilinane?
The InChIKey is FSGBDMUYOWFRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-5-6-7-9-12(2)13-10-8-11-15(3,4)14-13/h12-13H,5-11H2,1-4H3.
What are the key properties of 6-heptan-2-yl-2,2-dimethyloxasilinane?
6-heptan-2-yl-2,2-dimethyloxasilinane has a molecular weight of 228.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptan-2-yl-2,2-dimethyloxasilinane is sourced from PubChem (CID 66800701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).