trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane

C13H28O4Si — CID 99865005

IUPACtrimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane
SMILESCO[Si](CCCCCCCC[C@@H]1CO1)(OC)OC
InChIInChI=1S/C13H28O4Si/c1-14-18(15-2,16-3)11-9-7-5-4-6-8-10-13-12-17-13/h13H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyUEFJJFILJJDEFC-CYBMUJFWSA-N
MW276.45 g/mol
LogP2.99
Rot. Bonds12

About trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane

trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane (PubChem CID 99865005) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane.

Molecular Properties

Compound Nametrimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane
PubChem CID99865005
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Nametrimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane
SMILESCO[Si](CCCCCCCC[C@@H]1CO1)(OC)OC
InChIInChI=1S/C13H28O4Si/c1-14-18(15-2,16-3)11-9-7-5-4-6-8-10-13-12-17-13/h13H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyUEFJJFILJJDEFC-CYBMUJFWSA-N
XLogP2.99
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane
CID 18458414
2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane
CID 87793683
butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane
CID 175382377
tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane
CID 18508396
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
trimethyl-[methyl-[4-(oxiran-2-yl)butyl]-trimethylsilyloxysilyl]oxysilane
CID 134968743
dimethoxy-[(2-methylpropan-2-yl)oxy]-[2-(oxiran-2-yl)ethyl]silane
CID 59854331
trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane
CID 140639990
(2R)-2-octadecyloxirane
CID 98043533
2-tetratetracontyloxirane
CID 102093754
2-tetradecyloxirane
CID 23741

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane?
The IUPAC name of trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane (CID 99865005) is trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane.
What is the SMILES notation for trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane?
The canonical SMILES for trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane is CO[Si](CCCCCCCC[C@@H]1CO1)(OC)OC.
What is the InChIKey of trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane?
The InChIKey is UEFJJFILJJDEFC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-14-18(15-2,16-3)11-9-7-5-4-6-8-10-13-12-17-13/h13H,4-12H2,1-3H3/t13-/m1/s1.
What are the key properties of trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane?
trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane has a molecular weight of 276.45 g/mol, XLogP of 2.99, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane is sourced from PubChem (CID 99865005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).