(3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol

C18H38O4Si — CID 11484799

IUPAC(3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol
SMILESC=CC[C@H](C)[C@@H](C[C@H](O)CCO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C18H38O4Si/c1-9-10-15(2)17(21-14-20-6)13-16(19)11-12-22-23(7,8)18(3,4)5/h9,15-17,19H,1,10-14H2,2-8H3/t15-,16+,17+/m0/s1
InChIKeyVANWYQGKLUAJSY-GVDBMIGSSA-N
MW346.58 g/mol
LogP4.35
Rot. Bonds12

About (3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol

(3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol (PubChem CID 11484799) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is (3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol.

Molecular Properties

Compound Name(3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol
PubChem CID11484799
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Name(3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol
SMILESC=CC[C@H](C)[C@@H](C[C@H](O)CCO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C18H38O4Si/c1-9-10-15(2)17(21-14-20-6)13-16(19)11-12-22-23(7,8)18(3,4)5/h9,15-17,19H,1,10-14H2,2-8H3/t15-,16+,17+/m0/s1
InChIKeyVANWYQGKLUAJSY-GVDBMIGSSA-N
XLogP4.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 54.35
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 (3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol?
The IUPAC name of (3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol (CID 11484799) is (3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol.
What is the SMILES notation for (3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol?
The canonical SMILES for (3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol is C=CC[C@H](C)[C@@H](C[C@H](O)CCO[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of (3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol?
The InChIKey is VANWYQGKLUAJSY-GVDBMIGSSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-9-10-15(2)17(21-14-20-6)13-16(19)11-12-22-23(7,8)18(3,4)5/h9,15-17,19H,1,10-14H2,2-8H3/t15-,16+,17+/m0/s1.
What are the key properties of (3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol?
(3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol has a molecular weight of 346.58 g/mol, XLogP of 4.35, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-methylnon-8-en-3-ol is sourced from PubChem (CID 11484799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).