(2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol

C21H42O4Si — CID 11474668

IUPAC(2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol
SMILESC=C/C=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](OCOC)[C@@H](C)CO
InChIInChI=1S/C21H42O4Si/c1-11-12-13-16(2)20(25-26(9,10)21(5,6)7)18(4)19(17(3)14-22)24-15-23-8/h11-13,16-20,22H,1,14-15H2,2-10H3/b13-12-/t16-,17-,18-,19+,20-/m0/s1
InChIKeyRLCKMDCUZZMCBI-LBQGOHMSSA-N
MW386.65 g/mol
LogP5.01
Rot. Bonds12

About (2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol

(2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol (PubChem CID 11474668) has the molecular formula C21H42O4Si and a molecular weight of 386.65 g/mol. Its IUPAC name is (2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol
PubChem CID11474668
Molecular FormulaC21H42O4Si
Molecular Weight386.65 g/mol
Exact Mass386.29
IUPAC Name(2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol
SMILESC=C/C=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](OCOC)[C@@H](C)CO
InChIInChI=1S/C21H42O4Si/c1-11-12-13-16(2)20(25-26(9,10)21(5,6)7)18(4)19(17(3)14-22)24-15-23-8/h11-13,16-20,22H,1,14-15H2,2-10H3/b13-12-/t16-,17-,18-,19+,20-/m0/s1
InChIKeyRLCKMDCUZZMCBI-LBQGOHMSSA-N
XLogP5.01
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol?
The IUPAC name of (2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol (CID 11474668) is (2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol.
What is the SMILES notation for (2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol?
The canonical SMILES for (2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol is C=C/C=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](OCOC)[C@@H](C)CO.
What is the InChIKey of (2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol?
The InChIKey is RLCKMDCUZZMCBI-LBQGOHMSSA-N. The full InChI is InChI=1S/C21H42O4Si/c1-11-12-13-16(2)20(25-26(9,10)21(5,6)7)18(4)19(17(3)14-22)24-15-23-8/h11-13,16-20,22H,1,14-15H2,2-10H3/b13-12-/t16-,17-,18-,19+,20-/m0/s1.
What are the key properties of (2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol?
(2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol has a molecular weight of 386.65 g/mol, XLogP of 5.01, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol is sourced from PubChem (CID 11474668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).