3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol

C33H72O5Si4 — CID 158328801

IUPAC3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1CCCO
InChIInChI=1S/C33H72O5Si4/c1-25-26(21-20-23-34)35-29(27(22-24-39(11,12)13)36-40(14,15)31(2,3)4)30(38-42(18,19)33(8,9)10)28(25)37-41(16,17)32(5,6)7/h22,24-30,34H,20-21,23H2,1-19H3/b24-22+/t25-,26-,27-,28-,29-,30-/m0/s1
InChIKeySGCQYGFUDVXNLK-YBMRKNTLSA-N
MW661.28 g/mol
LogP9.77
Rot. Bonds12

About 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol

3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol (PubChem CID 158328801) has the molecular formula C33H72O5Si4 and a molecular weight of 661.28 g/mol. Its IUPAC name is 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol
PubChem CID158328801
Molecular FormulaC33H72O5Si4
Molecular Weight661.28 g/mol
Exact Mass660.45
IUPAC Name3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1CCCO
InChIInChI=1S/C33H72O5Si4/c1-25-26(21-20-23-34)35-29(27(22-24-39(11,12)13)36-40(14,15)31(2,3)4)30(38-42(18,19)33(8,9)10)28(25)37-41(16,17)32(5,6)7/h22,24-30,34H,20-21,23H2,1-19H3/b24-22+/t25-,26-,27-,28-,29-,30-/m0/s1
InChIKeySGCQYGFUDVXNLK-YBMRKNTLSA-N
XLogP9.77
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.28
LogP ≤ 59.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol (CID 158328801) is 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol is C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1CCCO.
What is the InChIKey of 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol?
The InChIKey is SGCQYGFUDVXNLK-YBMRKNTLSA-N. The full InChI is InChI=1S/C33H72O5Si4/c1-25-26(21-20-23-34)35-29(27(22-24-39(11,12)13)36-40(14,15)31(2,3)4)30(38-42(18,19)33(8,9)10)28(25)37-41(16,17)32(5,6)7/h22,24-30,34H,20-21,23H2,1-19H3/b24-22+/t25-,26-,27-,28-,29-,30-/m0/s1.
What are the key properties of 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol?
3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol has a molecular weight of 661.28 g/mol, XLogP of 9.77, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol is sourced from PubChem (CID 158328801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).