(1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol

C41H64O7Si2 — CID 10876321

IUPAC(1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol
SMILESCC1(C)O[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](C#C[C@H](O)[C@H]2C[C@@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)O1
InChIInChI=1S/C41H64O7Si2/c1-38(2,3)49(11,12)43-27-25-33-30-37(48-41(9,10)47-33)36(42)24-23-31-29-32(46-40(7,8)45-31)26-28-44-50(39(4,5)6,34-19-15-13-16-20-34)35-21-17-14-18-22-35/h13-22,31-33,36-37,42H,25-30H2,1-12H3/t31-,32+,33-,36+,37-/m1/s1
InChIKeyMQURFBZLWYLMFL-GIBYKPEOSA-N
MW725.13 g/mol
LogP7.55
Rot. Bonds11

About (1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol

(1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol (PubChem CID 10876321) has the molecular formula C41H64O7Si2 and a molecular weight of 725.13 g/mol. Its IUPAC name is (1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol
PubChem CID10876321
Molecular FormulaC41H64O7Si2
Molecular Weight725.13 g/mol
Exact Mass724.42
IUPAC Name(1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol
SMILESCC1(C)O[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](C#C[C@H](O)[C@H]2C[C@@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)O1
InChIInChI=1S/C41H64O7Si2/c1-38(2,3)49(11,12)43-27-25-33-30-37(48-41(9,10)47-33)36(42)24-23-31-29-32(46-40(7,8)45-31)26-28-44-50(39(4,5)6,34-19-15-13-16-20-34)35-21-17-14-18-22-35/h13-22,31-33,36-37,42H,25-30H2,1-12H3/t31-,32+,33-,36+,37-/m1/s1
InChIKeyMQURFBZLWYLMFL-GIBYKPEOSA-N
XLogP7.55
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.13
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 11134205
1-[Tert-butyl(diphenyl)silyl]oxy-5-(1,10-dioxaspiro[4.5]decan-2-yl)pentan-3-ol
CID 21583599
2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
(2R,3S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxyoxan-3-ol
CID 18646869
(5R,6R,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol
CID 10578799
(5R,6S,8Z,11E)-6-[tert-butyl(diphenyl)silyl]oxy-1-(oxan-2-yloxy)tetradeca-8,11-dien-2-yn-5-ol
CID 10792988
(2S,3R,4R,4aS,6R,7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-hydroxyethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol
CID 10941217
(2S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexane-2,4-diol
CID 11123563
(1R)-1-[(2R,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-6-[(Z)-dodec-2-enyl]oxan-2-yl]-3-trimethylsilylprop-2-yn-1-ol
CID 11399456
3-[(2R,3S,6S,8S)-8-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol
CID 11555801
(2R,5R,7R,9R,10S)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methyl-9-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decan-10-ol
CID 11585378
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol?
The IUPAC name of (1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol (CID 10876321) is (1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol.
What is the SMILES notation for (1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol?
The canonical SMILES for (1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol is CC1(C)O[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](C#C[C@H](O)[C@H]2C[C@@H](CCO[Si](C)(C)C(C)(C)C)OC(C)(C)O2)O1.
What is the InChIKey of (1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol?
The InChIKey is MQURFBZLWYLMFL-GIBYKPEOSA-N. The full InChI is InChI=1S/C41H64O7Si2/c1-38(2,3)49(11,12)43-27-25-33-30-37(48-41(9,10)47-33)36(42)24-23-31-29-32(46-40(7,8)45-31)26-28-44-50(39(4,5)6,34-19-15-13-16-20-34)35-21-17-14-18-22-35/h13-22,31-33,36-37,42H,25-30H2,1-12H3/t31-,32+,33-,36+,37-/m1/s1.
What are the key properties of (1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol?
(1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol has a molecular weight of 725.13 g/mol, XLogP of 7.55, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol is sourced from PubChem (CID 10876321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).