(3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol

C18H38O4Si — CID 46899843

IUPAC(3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol
SMILESC=C[C@H](C)[C@@H](O)C[C@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si/c1-10-14(2)16(19)11-17(21-13-20-7)15(3)12-22-23(8,9)18(4,5)6/h10,14-17,19H,1,11-13H2,2-9H3/t14-,15+,16-,17-/m0/s1
InChIKeyBAIAIYOFSYSKMN-YVSFHVDLSA-N
MW346.58 g/mol
LogP4.21
Rot. Bonds11

About (3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol

(3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol (PubChem CID 46899843) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is (3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol.

Molecular Properties

Compound Name(3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol
PubChem CID46899843
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Name(3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol
SMILESC=C[C@H](C)[C@@H](O)C[C@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si/c1-10-14(2)16(19)11-17(21-13-20-7)15(3)12-22-23(8,9)18(4,5)6/h10,14-17,19H,1,11-13H2,2-9H3/t14-,15+,16-,17-/m0/s1
InChIKeyBAIAIYOFSYSKMN-YVSFHVDLSA-N
XLogP4.21
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 54.21
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,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol?
The IUPAC name of (3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol (CID 46899843) is (3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol.
What is the SMILES notation for (3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol?
The canonical SMILES for (3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol is C=C[C@H](C)[C@@H](O)C[C@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol?
The InChIKey is BAIAIYOFSYSKMN-YVSFHVDLSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-10-14(2)16(19)11-17(21-13-20-7)15(3)12-22-23(8,9)18(4,5)6/h10,14-17,19H,1,11-13H2,2-9H3/t14-,15+,16-,17-/m0/s1.
What are the key properties of (3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol?
(3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol has a molecular weight of 346.58 g/mol, XLogP of 4.21, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-3,7-dimethyloct-1-en-4-ol is sourced from PubChem (CID 46899843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).