(3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol

C20H42O4Si — CID 132596000

IUPAC(3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol
SMILESC=C[C@H](C)[C@H](CC[C@@H](C)[C@H](CCO)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O4Si/c1-10-16(2)19(24-25(8,9)20(4,5)6)12-11-17(3)18(13-14-21)23-15-22-7/h10,16-19,21H,1,11-15H2,2-9H3/t16-,17+,18-,19-/m0/s1
InChIKeyZVEDKXILUIYFOE-RDGPPVDQSA-N
MW374.64 g/mol
LogP4.99
Rot. Bonds13

About (3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol

(3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol (PubChem CID 132596000) has the molecular formula C20H42O4Si and a molecular weight of 374.64 g/mol. Its IUPAC name is (3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol.

Molecular Properties

Compound Name(3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol
PubChem CID132596000
Molecular FormulaC20H42O4Si
Molecular Weight374.64 g/mol
Exact Mass374.29
IUPAC Name(3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol
SMILESC=C[C@H](C)[C@H](CC[C@@H](C)[C@H](CCO)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O4Si/c1-10-16(2)19(24-25(8,9)20(4,5)6)12-11-17(3)18(13-14-21)23-15-22-7/h10,16-19,21H,1,11-15H2,2-9H3/t16-,17+,18-,19-/m0/s1
InChIKeyZVEDKXILUIYFOE-RDGPPVDQSA-N
XLogP4.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 54.99
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol?
The IUPAC name of (3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol (CID 132596000) is (3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol.
What is the SMILES notation for (3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol?
The canonical SMILES for (3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol is C=C[C@H](C)[C@H](CC[C@@H](C)[C@H](CCO)OCOC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol?
The InChIKey is ZVEDKXILUIYFOE-RDGPPVDQSA-N. The full InChI is InChI=1S/C20H42O4Si/c1-10-16(2)19(24-25(8,9)20(4,5)6)12-11-17(3)18(13-14-21)23-15-22-7/h10,16-19,21H,1,11-15H2,2-9H3/t16-,17+,18-,19-/m0/s1.
What are the key properties of (3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol?
(3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol has a molecular weight of 374.64 g/mol, XLogP of 4.99, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,8-dimethyldec-9-en-1-ol is sourced from PubChem (CID 132596000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).