(4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol

C20H40O4Si — CID 134875286

IUPAC(4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol
SMILESC=CC(O)/C=C/[C@@H](C)[C@H](OCOC)[C@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si/c1-11-18(21)13-12-15(2)19(23-14-22-8)16(3)17(4)24-25(9,10)20(5,6)7/h11-13,15-19,21H,1,14H2,2-10H3/b13-12+/t15-,16-,17-,18?,19+/m1/s1
InChIKeyNWDOYLQFPMXNHC-WPUXVHILSA-N
MW372.62 g/mol
LogP4.76
Rot. Bonds11

About (4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol

(4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol (PubChem CID 134875286) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is (4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol.

Molecular Properties

Compound Name(4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol
PubChem CID134875286
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Name(4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol
SMILESC=CC(O)/C=C/[C@@H](C)[C@H](OCOC)[C@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si/c1-11-18(21)13-12-15(2)19(23-14-22-8)16(3)17(4)24-25(9,10)20(5,6)7/h11-13,15-19,21H,1,14H2,2-10H3/b13-12+/t15-,16-,17-,18?,19+/m1/s1
InChIKeyNWDOYLQFPMXNHC-WPUXVHILSA-N
XLogP4.76
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.76
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 (4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol?
The IUPAC name of (4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol (CID 134875286) is (4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol.
What is the SMILES notation for (4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol?
The canonical SMILES for (4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol is C=CC(O)/C=C/[C@@H](C)[C@H](OCOC)[C@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol?
The InChIKey is NWDOYLQFPMXNHC-WPUXVHILSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-11-18(21)13-12-15(2)19(23-14-22-8)16(3)17(4)24-25(9,10)20(5,6)7/h11-13,15-19,21H,1,14H2,2-10H3/b13-12+/t15-,16-,17-,18?,19+/m1/s1.
What are the key properties of (4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol?
(4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol has a molecular weight of 372.62 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol is sourced from PubChem (CID 134875286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).