3-methyl-3-undecyldioxasilirane

C12H26O2Si — CID 175063520

IUPAC3-methyl-3-undecyldioxasilirane
SMILESCCCCCCCCCCC[Si]1(C)OO1
InChIInChI=1S/C12H26O2Si/c1-3-4-5-6-7-8-9-10-11-12-15(2)13-14-15/h3-12H2,1-2H3
InChIKeyCKCRVRIPTQRJQI-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.55
Rot. Bonds10

About 3-methyl-3-undecyldioxasilirane

3-methyl-3-undecyldioxasilirane (PubChem CID 175063520) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 3-methyl-3-undecyldioxasilirane.

Molecular Properties

Compound Name3-methyl-3-undecyldioxasilirane
PubChem CID175063520
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name3-methyl-3-undecyldioxasilirane
SMILESCCCCCCCCCCC[Si]1(C)OO1
InChIInChI=1S/C12H26O2Si/c1-3-4-5-6-7-8-9-10-11-12-15(2)13-14-15/h3-12H2,1-2H3
InChIKeyCKCRVRIPTQRJQI-UHFFFAOYSA-N
XLogP4.55
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,4,6,8-tetramethyl-2,4,6,8-tetrapentyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 142697059
2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 58021544
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-undecyldioxasilirane?
The IUPAC name of 3-methyl-3-undecyldioxasilirane (CID 175063520) is 3-methyl-3-undecyldioxasilirane.
What is the SMILES notation for 3-methyl-3-undecyldioxasilirane?
The canonical SMILES for 3-methyl-3-undecyldioxasilirane is CCCCCCCCCCC[Si]1(C)OO1.
What is the InChIKey of 3-methyl-3-undecyldioxasilirane?
The InChIKey is CKCRVRIPTQRJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-3-4-5-6-7-8-9-10-11-12-15(2)13-14-15/h3-12H2,1-2H3.
What are the key properties of 3-methyl-3-undecyldioxasilirane?
3-methyl-3-undecyldioxasilirane has a molecular weight of 230.42 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-undecyldioxasilirane is sourced from PubChem (CID 175063520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).