tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane

C16H32O2Si — CID 14494226

IUPACtert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
SMILESCC(C)=CCC[C@@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-13(2)10-9-11-16(6)14(18-16)12-17-19(7,8)15(3,4)5/h10,14H,9,11-12H2,1-8H3/t14-,16-/m1/s1
InChIKeyXGNQPWRSQPHGNU-GDBMZVCRSA-N
MW284.52 g/mol
LogP4.91
Rot. Bonds6

About tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane (PubChem CID 14494226) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
PubChem CID14494226
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Nametert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
SMILESCC(C)=CCC[C@@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-13(2)10-9-11-16(6)14(18-16)12-17-19(7,8)15(3,4)5/h10,14H,9,11-12H2,1-8H3/t14-,16-/m1/s1
InChIKeyXGNQPWRSQPHGNU-GDBMZVCRSA-N
XLogP4.91
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane (CID 14494226) is tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane is CC(C)=CCC[C@@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane?
The InChIKey is XGNQPWRSQPHGNU-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-13(2)10-9-11-16(6)14(18-16)12-17-19(7,8)15(3,4)5/h10,14H,9,11-12H2,1-8H3/t14-,16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane has a molecular weight of 284.52 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane is sourced from PubChem (CID 14494226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).