2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane

C34H74O7Si4 — CID 11061521

IUPAC2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCOCC[Si](C)(C)C)C/C=C\C[C@@H]1OCOCC[Si](C)(C)C
InChIInChI=1S/C34H74O7Si4/c1-33(2,3)44(13,14)39-25-31-29(37-27-35-21-23-42(7,8)9)19-17-18-20-30(38-28-36-22-24-43(10,11)12)32(41-31)26-40-45(15,16)34(4,5)6/h17-18,29-32H,19-28H2,1-16H3/b18-17-/t29-,30+,31-,32+
InChIKeyXFMPCCCSCSHPAU-FFQHVZPXSA-N
MW707.30 g/mol
LogP9.53
Rot. Bonds18

About 2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane

2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 11061521) has the molecular formula C34H74O7Si4 and a molecular weight of 707.30 g/mol. Its IUPAC name is 2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID11061521
Molecular FormulaC34H74O7Si4
Molecular Weight707.30 g/mol
Exact Mass706.45
IUPAC Name2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCOCC[Si](C)(C)C)C/C=C\C[C@@H]1OCOCC[Si](C)(C)C
InChIInChI=1S/C34H74O7Si4/c1-33(2,3)44(13,14)39-25-31-29(37-27-35-21-23-42(7,8)9)19-17-18-20-30(38-28-36-22-24-43(10,11)12)32(41-31)26-40-45(15,16)34(4,5)6/h17-18,29-32H,19-28H2,1-16H3/b18-17-/t29-,30+,31-,32+
InChIKeyXFMPCCCSCSHPAU-FFQHVZPXSA-N
XLogP9.53
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.30
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane (CID 11061521) is 2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCOCC[Si](C)(C)C)C/C=C\C[C@@H]1OCOCC[Si](C)(C)C.
What is the InChIKey of 2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is XFMPCCCSCSHPAU-FFQHVZPXSA-N. The full InChI is InChI=1S/C34H74O7Si4/c1-33(2,3)44(13,14)39-25-31-29(37-27-35-21-23-42(7,8)9)19-17-18-20-30(38-28-36-22-24-43(10,11)12)32(41-31)26-40-45(15,16)34(4,5)6/h17-18,29-32H,19-28H2,1-16H3/b18-17-/t29-,30+,31-,32+.
What are the key properties of 2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 707.30 g/mol, XLogP of 9.53, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3R,5Z,8S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(2-trimethylsilylethoxymethoxy)-2,3,4,7,8,9-hexahydrooxonin-3-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 11061521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).