dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane

C16H34O2Si — CID 163299953

IUPACdimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCCCCCCC[Si](C)(C)CCCOCC1CO1
InChIInChI=1S/C16H34O2Si/c1-4-5-6-7-8-9-12-19(2,3)13-10-11-17-14-16-15-18-16/h16H,4-15H2,1-3H3
InChIKeyCNLWKRNDSSJSBN-UHFFFAOYSA-N
MW286.53 g/mol
LogP4.86
Rot. Bonds13

About dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane

dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 163299953) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Namedimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID163299953
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Namedimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCCCCCCC[Si](C)(C)CCCOCC1CO1
InChIInChI=1S/C16H34O2Si/c1-4-5-6-7-8-9-12-19(2,3)13-10-11-17-14-16-15-18-16/h16H,4-15H2,1-3H3
InChIKeyCNLWKRNDSSJSBN-UHFFFAOYSA-N
XLogP4.86
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.86
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(pentoxymethyl)oxirane
CID 160890113
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
butyl-dihydroxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 142708399
CID 166063430
CID 166063430
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
diethyl-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 139945217

Frequently Asked Questions

What is the IUPAC name of dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 163299953) is dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane is CCCCCCCC[Si](C)(C)CCCOCC1CO1.
What is the InChIKey of dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is CNLWKRNDSSJSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-4-5-6-7-8-9-12-19(2,3)13-10-11-17-14-16-15-18-16/h16H,4-15H2,1-3H3.
What are the key properties of dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 286.53 g/mol, XLogP of 4.86, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 163299953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).