2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane

C11H29NOSi3 — CID 164522227

IUPAC2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane
SMILESCC1CN[Si](C)(C)O[Si](C)(C)C[Si](C)(C)C1
InChIInChI=1S/C11H29NOSi3/c1-11-8-12-16(6,7)13-15(4,5)10-14(2,3)9-11/h11-12H,8-10H2,1-7H3
InChIKeyBOJBGSLUJACKGE-UHFFFAOYSA-N
MW275.62 g/mol
LogP3.40
Rot. Bonds

About 2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane

2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane (PubChem CID 164522227) has the molecular formula C11H29NOSi3 and a molecular weight of 275.62 g/mol. Its IUPAC name is 2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane.

Molecular Properties

Compound Name2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane
PubChem CID164522227
Molecular FormulaC11H29NOSi3
Molecular Weight275.62 g/mol
Exact Mass275.16
IUPAC Name2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane
SMILESCC1CN[Si](C)(C)O[Si](C)(C)C[Si](C)(C)C1
InChIInChI=1S/C11H29NOSi3/c1-11-8-12-16(6,7)13-15(4,5)10-14(2,3)9-11/h11-12H,8-10H2,1-7H3
InChIKeyBOJBGSLUJACKGE-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.62
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,2,4,4,6,6-hexamethyl-1,2,4,6-oxatrisilinane
CID 608922
2,2,4,4,6,6,8,8-octamethyl-1,2,4,6,8-oxatetrasilocane
CID 623763
2,2,4,4,9,9-hexamethyl-1,3,5,2,4,9-dioxazatrisilonane
CID 156746732
1-chloro-1,3-dimethylsiletane
CID 564198
2,2-dimethoxy-5-methylazasilinane
CID 57044830
2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane
CID 15466488
2,2-dimethylpropane;methane;methylcyclopropane
CID 161488522
ethane;3-methylazetidine
CID 90730870
1-(1,3-dimethylsiletan-1-yl)oxy-1,3-dimethylsiletane
CID 71387894
2-chloro-2,4-dimethyloxasilolane
CID 15389995
2,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226965
7-hydroxy-1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,6-pentamethyl-1,2,6-oxadisilinane;tetramethylsilane
CID 161035586

Frequently Asked Questions

What is the IUPAC name of 2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane?
The IUPAC name of 2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane (CID 164522227) is 2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane.
What is the SMILES notation for 2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane?
The canonical SMILES for 2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane is CC1CN[Si](C)(C)O[Si](C)(C)C[Si](C)(C)C1.
What is the InChIKey of 2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane?
The InChIKey is BOJBGSLUJACKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H29NOSi3/c1-11-8-12-16(6,7)13-15(4,5)10-14(2,3)9-11/h11-12H,8-10H2,1-7H3.
What are the key properties of 2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane?
2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane has a molecular weight of 275.62 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,7,7,9,9-heptamethyl-1,3,2,7,9-oxazatrisilonane is sourced from PubChem (CID 164522227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).