(E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol

C32H66O6Si2 — CID 102380832

IUPAC(E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol
SMILESCC[Si](CC)(CC)O[C@H]([C@@H](C)[C@H](OC)[C@@H]1COC(C)(C)O1)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)C(C)O
InChIInChI=1S/C32H66O6Si2/c1-17-40(18-2,19-3)38-29(25(7)30(34-14)27-21-35-32(12,13)36-27)24(6)28(23(5)20-22(4)26(8)33)37-39(15,16)31(9,10)11/h20,22,24-30,33H,17-19,21H2,1-16H3/b23-20+/t22-,24+,25+,26?,27-,28-,29-,30-/m0/s1
InChIKeyRCNFBYMYGUZMKY-RSRCAXBVSA-N
MW603.05 g/mol
LogP8.17
Rot. Bonds16

About (E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol

(E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol (PubChem CID 102380832) has the molecular formula C32H66O6Si2 and a molecular weight of 603.05 g/mol. Its IUPAC name is (E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol.

Molecular Properties

Compound Name(E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol
PubChem CID102380832
Molecular FormulaC32H66O6Si2
Molecular Weight603.05 g/mol
Exact Mass602.44
IUPAC Name(E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol
SMILESCC[Si](CC)(CC)O[C@H]([C@@H](C)[C@H](OC)[C@@H]1COC(C)(C)O1)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)C(C)O
InChIInChI=1S/C32H66O6Si2/c1-17-40(18-2,19-3)38-29(25(7)30(34-14)27-21-35-32(12,13)36-27)24(6)28(23(5)20-22(4)26(8)33)37-39(15,16)31(9,10)11/h20,22,24-30,33H,17-19,21H2,1-16H3/b23-20+/t22-,24+,25+,26?,27-,28-,29-,30-/m0/s1
InChIKeyRCNFBYMYGUZMKY-RSRCAXBVSA-N
XLogP8.17
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.05
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol?
The IUPAC name of (E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol (CID 102380832) is (E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol.
What is the SMILES notation for (E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol?
The canonical SMILES for (E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol is CC[Si](CC)(CC)O[C@H]([C@@H](C)[C@H](OC)[C@@H]1COC(C)(C)O1)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)C(C)O.
What is the InChIKey of (E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol?
The InChIKey is RCNFBYMYGUZMKY-RSRCAXBVSA-N. The full InChI is InChI=1S/C32H66O6Si2/c1-17-40(18-2,19-3)38-29(25(7)30(34-14)27-21-35-32(12,13)36-27)24(6)28(23(5)20-22(4)26(8)33)37-39(15,16)31(9,10)11/h20,22,24-30,33H,17-19,21H2,1-16H3/b23-20+/t22-,24+,25+,26?,27-,28-,29-,30-/m0/s1.
What are the key properties of (E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol?
(E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol has a molecular weight of 603.05 g/mol, XLogP of 8.17, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,6R,7S,8R,9S,10S)-6-[tert-butyl(dimethyl)silyl]oxy-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10-methoxy-3,5,7,9-tetramethyl-8-triethylsilyloxydec-4-en-2-ol is sourced from PubChem (CID 102380832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).