1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane

C30H58O7Si3 — CID 134883051

IUPAC1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane
SMILESC=C(OC[C@H]1OC=C[C@@H](OC(=C)O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H58O7Si3/c1-22(35-38(13,14)28(4,5)6)32-21-26-27(34-24(3)37-40(17,18)30(10,11)12)25(19-20-31-26)33-23(2)36-39(15,16)29(7,8)9/h19-20,25-27H,1-3,21H2,4-18H3/t25-,26-,27+/m1/s1
InChIKeySQGSEYOUGSNFRT-PFBJBMPXSA-N
MW615.05 g/mol
LogP9.16
Rot. Bonds13

About 1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane

1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane (PubChem CID 134883051) has the molecular formula C30H58O7Si3 and a molecular weight of 615.05 g/mol. Its IUPAC name is 1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane
PubChem CID134883051
Molecular FormulaC30H58O7Si3
Molecular Weight615.05 g/mol
Exact Mass614.35
IUPAC Name1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane
SMILESC=C(OC[C@H]1OC=C[C@@H](OC(=C)O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H58O7Si3/c1-22(35-38(13,14)28(4,5)6)32-21-26-27(34-24(3)37-40(17,18)30(10,11)12)25(19-20-31-26)33-23(2)36-39(15,16)29(7,8)9/h19-20,25-27H,1-3,21H2,4-18H3/t25-,26-,27+/m1/s1
InChIKeySQGSEYOUGSNFRT-PFBJBMPXSA-N
XLogP9.16
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.05
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane (CID 134883051) is 1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane is C=C(OC[C@H]1OC=C[C@@H](OC(=C)O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane?
The InChIKey is SQGSEYOUGSNFRT-PFBJBMPXSA-N. The full InChI is InChI=1S/C30H58O7Si3/c1-22(35-38(13,14)28(4,5)6)32-21-26-27(34-24(3)37-40(17,18)30(10,11)12)25(19-20-31-26)33-23(2)36-39(15,16)29(7,8)9/h19-20,25-27H,1-3,21H2,4-18H3/t25-,26-,27+/m1/s1.
What are the key properties of 1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane?
1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane has a molecular weight of 615.05 g/mol, XLogP of 9.16, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S,4R)-3,4-bis[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134883051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).