(1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde

C43H66O6S2Si2 — CID 11251352

IUPAC(1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@]2(C)O[C@@H]3CC(SCC)(SCC)[C@@H](C=O)O[C@H]3C[C@H]2O1
InChIInChI=1S/C43H66O6S2Si2/c1-13-50-43(51-14-2)28-36-35(47-39(43)29-44)27-37-42(10,48-36)38(49-52(11,12)40(4,5)6)26-32(46-37)25-31(3)30-45-53(41(7,8)9,33-21-17-15-18-22-33)34-23-19-16-20-24-34/h15-24,29,32,35-39H,3,13-14,25-28,30H2,1-2,4-12H3/t32-,35+,36-,37-,38+,39-,42-/m1/s1
InChIKeyWZMNCUWOTOVCRI-PWFROIPBSA-N
MW799.30 g/mol
LogP9.16
Rot. Bonds14

About (1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde

(1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde (PubChem CID 11251352) has the molecular formula C43H66O6S2Si2 and a molecular weight of 799.30 g/mol. Its IUPAC name is (1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde.

Molecular Properties

Compound Name(1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde
PubChem CID11251352
Molecular FormulaC43H66O6S2Si2
Molecular Weight799.30 g/mol
Exact Mass798.38
IUPAC Name(1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@]2(C)O[C@@H]3CC(SCC)(SCC)[C@@H](C=O)O[C@H]3C[C@H]2O1
InChIInChI=1S/C43H66O6S2Si2/c1-13-50-43(51-14-2)28-36-35(47-39(43)29-44)27-37-42(10,48-36)38(49-52(11,12)40(4,5)6)26-32(46-37)25-31(3)30-45-53(41(7,8)9,33-21-17-15-18-22-33)34-23-19-16-20-24-34/h15-24,29,32,35-39H,3,13-14,25-28,30H2,1-2,4-12H3/t32-,35+,36-,37-,38+,39-,42-/m1/s1
InChIKeyWZMNCUWOTOVCRI-PWFROIPBSA-N
XLogP9.16
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.30
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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'}

Analyze (1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde with MolForge

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Related Compounds

(1S,3R,6R,8S,10R,12R,14S)-12-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5,5-bis(ethylsulfanyl)-14-phenylmethoxy-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde
CID 10941669
tert-butyl-[3-[(1R,3R,4S,6R,8R,10S,12R)-4-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-13,13-bis(ethylsulfanyl)-3-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]propoxy]-diphenylsilane
CID 10975024
(1S,3R,8R,10S,12R,14R,15S,17R,19R)-15-[tert-butyl(dimethyl)silyl]oxy-17-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-7,7-bis(ethylsulfanyl)-10-methyl-2,9,13,18-tetraoxatetracyclo[10.8.0.03,10.014,19]icosane-8-carbaldehyde
CID 10996541
(1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde
CID 11136514
(1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-5-one
CID 11422953
(1S,3R,8R,10S,12R,14S,15S,17R,19R)-7,7-bis(ethylsulfanyl)-10-methyl-15-phenylmethoxy-17-(3-phenylmethoxypropyl)-2,9,13,18-tetraoxatetracyclo[10.8.0.03,10.014,19]icosane-8-carbaldehyde
CID 25192806

Frequently Asked Questions

What is the IUPAC name of (1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde?
The IUPAC name of (1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde (CID 11251352) is (1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde.
What is the SMILES notation for (1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde?
The canonical SMILES for (1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde is C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@]2(C)O[C@@H]3CC(SCC)(SCC)[C@@H](C=O)O[C@H]3C[C@H]2O1.
What is the InChIKey of (1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde?
The InChIKey is WZMNCUWOTOVCRI-PWFROIPBSA-N. The full InChI is InChI=1S/C43H66O6S2Si2/c1-13-50-43(51-14-2)28-36-35(47-39(43)29-44)27-37-42(10,48-36)38(49-52(11,12)40(4,5)6)26-32(46-37)25-31(3)30-45-53(41(7,8)9,33-21-17-15-18-22-33)34-23-19-16-20-24-34/h15-24,29,32,35-39H,3,13-14,25-28,30H2,1-2,4-12H3/t32-,35+,36-,37-,38+,39-,42-/m1/s1.
What are the key properties of (1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde?
(1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde has a molecular weight of 799.30 g/mol, XLogP of 9.16, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6R,8S,10R,12R,14S)-14-[tert-butyl(dimethyl)silyl]oxy-12-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enyl]-5,5-bis(ethylsulfanyl)-1-methyl-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecane-6-carbaldehyde is sourced from PubChem (CID 11251352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).