trimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane

C16H30OSi — CID 11780474

IUPACtrimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane
SMILESCCCCCCCCC[C@H]1O[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C16H30OSi/c1-5-6-7-8-9-10-11-12-15-16(17-15)13-14-18(2,3)4/h15-16H,5-12H2,1-4H3/t15-,16+/m1/s1
InChIKeyZECWKXLAYBGOMV-CVEARBPZSA-N
MW266.50 g/mol
LogP4.78
Rot. Bonds8

About trimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane

trimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane (PubChem CID 11780474) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is trimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane
PubChem CID11780474
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametrimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane
SMILESCCCCCCCCC[C@H]1O[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C16H30OSi/c1-5-6-7-8-9-10-11-12-15-16(17-15)13-14-18(2,3)4/h15-16H,5-12H2,1-4H3/t15-,16+/m1/s1
InChIKeyZECWKXLAYBGOMV-CVEARBPZSA-N
XLogP4.78
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2,3-dioctyloxirane
CID 71399050
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
2-heptyl-3-octyloxirane
CID 57269313
2-butyl-3-undecyloxirane
CID 88518775
(3S)-2-hexyl-3-methyloxirane
CID 22212703
(3S)-2-heptyl-3-methyloxirane
CID 22212077
(2S,3R)-2-methyl-3-nonyloxirane
CID 71399054
9-hydroxy-11-(3-pentyloxiran-2-yl)undec-10-ynoic acid
CID 156679802
4-hexyl-2-methyl-5-octyl-1,3-dioxolane
CID 565977
2-ethyl-3-henicosyloxirane
CID 20501424
trimethyl-[2-[(2R,3S,4R,5R,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]ethynyl]silane
CID 90251229

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane (CID 11780474) is trimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane is CCCCCCCCC[C@H]1O[C@H]1C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane?
The InChIKey is ZECWKXLAYBGOMV-CVEARBPZSA-N. The full InChI is InChI=1S/C16H30OSi/c1-5-6-7-8-9-10-11-12-15-16(17-15)13-14-18(2,3)4/h15-16H,5-12H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of trimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane?
trimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane has a molecular weight of 266.50 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2S,3R)-3-nonyloxiran-2-yl]ethynyl]silane is sourced from PubChem (CID 11780474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).