tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane

C24H46O2Si — CID 59341246

IUPACtert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane
SMILESCCCCCC1OC1CCCCC#CCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O2Si/c1-7-8-16-19-22-23(26-22)20-17-14-12-10-9-11-13-15-18-21-25-27(5,6)24(2,3)4/h22-23H,7-8,11-21H2,1-6H3
InChIKeyKSWMLMLBQBRUCO-UHFFFAOYSA-N
MW394.72 g/mol
LogP7.48
Rot. Bonds14

About tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane

tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane (PubChem CID 59341246) has the molecular formula C24H46O2Si and a molecular weight of 394.72 g/mol. Its IUPAC name is tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane
PubChem CID59341246
Molecular FormulaC24H46O2Si
Molecular Weight394.72 g/mol
Exact Mass394.33
IUPAC Nametert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane
SMILESCCCCCC1OC1CCCCC#CCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O2Si/c1-7-8-16-19-22-23(26-22)20-17-14-12-10-9-11-13-15-18-21-25-27(5,6)24(2,3)4/h22-23H,7-8,11-21H2,1-6H3
InChIKeyKSWMLMLBQBRUCO-UHFFFAOYSA-N
XLogP7.48
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.72
LogP ≤ 57.48
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl-dimethyl-[(Z)-tetradec-8-en-3-ynoxy]silane
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CID 11089942
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane (CID 59341246) is tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane is CCCCCC1OC1CCCCC#CCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane?
The InChIKey is KSWMLMLBQBRUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2Si/c1-7-8-16-19-22-23(26-22)20-17-14-12-10-9-11-13-15-18-21-25-27(5,6)24(2,3)4/h22-23H,7-8,11-21H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane?
tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane has a molecular weight of 394.72 g/mol, XLogP of 7.48, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[11-(3-pentyloxiran-2-yl)undec-6-ynoxy]silane is sourced from PubChem (CID 59341246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).