(1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione

About (1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione

(1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione (PubChem CID 10897504) has the molecular formula C34H58O7Si2 and a molecular weight of 635.00 g/mol. Its IUPAC name is (1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione.

Molecular Properties

Compound Name	(1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione
PubChem CID	10897504
Molecular Formula	C34H58O7Si2
Molecular Weight	635.00 g/mol
Exact Mass	634.37
IUPAC Name	(1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione
SMILES	C=CCC[C@@H]1OC(=O)[C@H]2[C@@H]3OC(=O)O[C@]34C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C([C@H](O[Si](CC)(CC)CC)C[C@]12C)C4(C)C
InChI	InChI=1S/C34H58O7Si2/c1-14-18-19-25-33(11)20-24(41-43(15-2,16-3)17-4)26-22(5)23(40-42(12,13)31(6,7)8)21-34(32(26,9)10)28(38-30(36)39-34)27(33)29(35)37-25/h14,23-25,27-28H,1,15-21H2,2-13H3/t23-,24+,25-,27+,28-,33+,34+/m0/s1
InChIKey	YZNWZEIDUSJDQB-VLELLYEHSA-N
XLogP	8.71
TPSA	80.29 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	10
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.00
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione?

The IUPAC name of (1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione (CID 10897504) is (1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione.

What is the SMILES notation for (1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione?

The canonical SMILES for (1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione is C=CCC[C@@H]1OC(=O)[C@H]2[C@@H]3OC(=O)O[C@]34C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C([C@H](O[Si](CC)(CC)CC)C[C@]12C)C4(C)C.

What is the InChIKey of (1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione?

The InChIKey is YZNWZEIDUSJDQB-VLELLYEHSA-N. The full InChI is InChI=1S/C34H58O7Si2/c1-14-18-19-25-33(11)20-24(41-43(15-2,16-3)17-4)26-22(5)23(40-42(12,13)31(6,7)8)21-34(32(26,9)10)28(38-30(36)39-34)27(33)29(35)37-25/h14,23-25,27-28H,1,15-21H2,2-13H3/t23-,24+,25-,27+,28-,33+,34+/m0/s1.

What are the key properties of (1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione?

(1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione has a molecular weight of 635.00 g/mol, XLogP of 8.71, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5S,6R,9S,10S,12R,15S)-9-but-3-enyl-15-[tert-butyl(dimethyl)silyl]oxy-10,14,17,17-tetramethyl-12-triethylsilyloxy-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione is sourced from PubChem (CID 10897504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).