(1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione

C33H58O6Si2 — CID 11039328

IUPAC(1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
SMILESC=CCC[C@@H]1OC(=O)O[C@@H]2C(=O)[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C([C@H](O[Si](CC)(CC)CC)C[C@]12C)C3(C)C
InChIInChI=1S/C33H58O6Si2/c1-14-18-19-26-33(11)21-25(39-41(15-2,16-3)17-4)27-22(5)24(38-40(12,13)31(6,7)8)20-23(32(27,9)10)28(34)29(33)37-30(35)36-26/h14,23-26,29H,1,15-21H2,2-13H3/t23-,24-,25+,26-,29+,33+/m0/s1
InChIKeyDHQNLYXFIREBKT-TVYVVEAVSA-N
MW606.99 g/mol
LogP8.98
Rot. Bonds10

About (1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione

(1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione (PubChem CID 11039328) has the molecular formula C33H58O6Si2 and a molecular weight of 606.99 g/mol. Its IUPAC name is (1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione.

Molecular Properties

Compound Name(1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
PubChem CID11039328
Molecular FormulaC33H58O6Si2
Molecular Weight606.99 g/mol
Exact Mass606.38
IUPAC Name(1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
SMILESC=CCC[C@@H]1OC(=O)O[C@@H]2C(=O)[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C([C@H](O[Si](CC)(CC)CC)C[C@]12C)C3(C)C
InChIInChI=1S/C33H58O6Si2/c1-14-18-19-26-33(11)21-25(39-41(15-2,16-3)17-4)27-22(5)24(38-40(12,13)31(6,7)8)20-23(32(27,9)10)28(34)29(33)37-30(35)36-26/h14,23-26,29H,1,15-21H2,2-13H3/t23-,24-,25+,26-,29+,33+/m0/s1
InChIKeyDHQNLYXFIREBKT-TVYVVEAVSA-N
XLogP8.98
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.99
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione with MolForge

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Related Compounds

(7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-tributylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
CID 134870961
[(1S,5S,6R,10S,11S,13R,16S)-7,11,15,18,18-pentamethyl-3,12-dioxo-10-triethylsilyloxy-16-trimethylsilyloxy-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadeca-7,14-dien-13-yl] acetate
CID 164672319
(3S,7S,8R,10R,13S)-13-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
CID 59904681
(3S,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
CID 59904690
(8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
CID 59965761
(3S,7S,8R,10R,13S)-7-but-3-enyl-13-hydroxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
CID 10994610
[(1S)-1-[(2R,4R,7S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,10,11,11-tetramethyl-5-oxo-2-triethylsilyloxy-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] ethyl carbonate
CID 10995817

Frequently Asked Questions

What is the IUPAC name of (1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione?
The IUPAC name of (1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione (CID 11039328) is (1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione.
What is the SMILES notation for (1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione?
The canonical SMILES for (1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione is C=CCC[C@@H]1OC(=O)O[C@@H]2C(=O)[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C([C@H](O[Si](CC)(CC)CC)C[C@]12C)C3(C)C.
What is the InChIKey of (1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione?
The InChIKey is DHQNLYXFIREBKT-TVYVVEAVSA-N. The full InChI is InChI=1S/C33H58O6Si2/c1-14-18-19-26-33(11)21-25(39-41(15-2,16-3)17-4)27-22(5)24(38-40(12,13)31(6,7)8)20-23(32(27,9)10)28(34)29(33)37-30(35)36-26/h14,23-26,29H,1,15-21H2,2-13H3/t23-,24-,25+,26-,29+,33+/m0/s1.
What are the key properties of (1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione?
(1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione has a molecular weight of 606.99 g/mol, XLogP of 8.98, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,7S,8R,10R,13S)-7-but-3-enyl-13-[tert-butyl(dimethyl)silyl]oxy-8,12,15,15-tetramethyl-10-triethylsilyloxy-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione is sourced from PubChem (CID 11039328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).