2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane

C17H34O3Si — CID 99771925

IUPAC2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane
SMILESC/C(=C\CC[C@H](C)C[C@@H]1CO1)COCOCC[Si](C)(C)C
InChIInChI=1S/C17H34O3Si/c1-15(11-17-13-20-17)7-6-8-16(2)12-19-14-18-9-10-21(3,4)5/h8,15,17H,6-7,9-14H2,1-5H3/b16-8+/t15-,17+/m0/s1
InChIKeyUAIJYSHDLDJVQF-PVCOYBFJSA-N
MW314.54 g/mol
LogP4.47
Rot. Bonds12

About 2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane

2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane (PubChem CID 99771925) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane
PubChem CID99771925
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane
SMILESC/C(=C\CC[C@H](C)C[C@@H]1CO1)COCOCC[Si](C)(C)C
InChIInChI=1S/C17H34O3Si/c1-15(11-17-13-20-17)7-6-8-16(2)12-19-14-18-9-10-21(3,4)5/h8,15,17H,6-7,9-14H2,1-5H3/b16-8+/t15-,17+/m0/s1
InChIKeyUAIJYSHDLDJVQF-PVCOYBFJSA-N
XLogP4.47
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane (CID 99771925) is 2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane is C/C(=C\CC[C@H](C)C[C@@H]1CO1)COCOCC[Si](C)(C)C.
What is the InChIKey of 2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane?
The InChIKey is UAIJYSHDLDJVQF-PVCOYBFJSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-15(11-17-13-20-17)7-6-8-16(2)12-19-14-18-9-10-21(3,4)5/h8,15,17H,6-7,9-14H2,1-5H3/b16-8+/t15-,17+/m0/s1.
What are the key properties of 2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane?
2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 314.54 g/mol, XLogP of 4.47, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E,6S)-2,6-dimethyl-7-[(2R)-oxiran-2-yl]hept-2-enoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 99771925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).