dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane

C13H28O3Si — CID 18458414

IUPACdimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane
SMILESCO[Si](C)(CCCCCCCCC1CO1)OC
InChIInChI=1S/C13H28O3Si/c1-14-17(3,15-2)11-9-7-5-4-6-8-10-13-12-16-13/h13H,4-12H2,1-3H3
InChIKeyHPDHLPPVRQGVAB-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.48
Rot. Bonds11

About dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane

dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane (PubChem CID 18458414) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane.

Molecular Properties

Compound Namedimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane
PubChem CID18458414
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namedimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane
SMILESCO[Si](C)(CCCCCCCCC1CO1)OC
InChIInChI=1S/C13H28O3Si/c1-14-17(3,15-2)11-9-7-5-4-6-8-10-13-12-16-13/h13H,4-12H2,1-3H3
InChIKeyHPDHLPPVRQGVAB-UHFFFAOYSA-N
XLogP3.48
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane
CID 99865005
trimethyl-[methyl-[4-(oxiran-2-yl)butyl]-trimethylsilyloxysilyl]oxysilane
CID 134968743
5-[dimethoxy(methyl)silyl]pentyl-dimethoxy-methylsilane
CID 87101351
bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane
CID 87186466
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane
CID 87793683
tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane
CID 18508396
2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756

Frequently Asked Questions

What is the IUPAC name of dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane?
The IUPAC name of dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane (CID 18458414) is dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane.
What is the SMILES notation for dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane?
The canonical SMILES for dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane is CO[Si](C)(CCCCCCCCC1CO1)OC.
What is the InChIKey of dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane?
The InChIKey is HPDHLPPVRQGVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-14-17(3,15-2)11-9-7-5-4-6-8-10-13-12-16-13/h13H,4-12H2,1-3H3.
What are the key properties of dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane?
dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane has a molecular weight of 260.45 g/mol, XLogP of 3.48, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane is sourced from PubChem (CID 18458414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).