(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one

C20H34O5Si — CID 23260561

IUPAC(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one
SMILESCOC1(OC)C=CC(=O)C2=C1C[C@H](C(C)O)C[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O5Si/c1-13(21)14-11-15-18(16(22)9-10-20(15,23-5)24-6)17(12-14)25-26(7,8)19(2,3)4/h9-10,13-14,17,21H,11-12H2,1-8H3/t13?,14-,17+/m0/s1
InChIKeyAZNRWDRBECRHKZ-XLGXCUCASA-N
MW382.57 g/mol
LogP3.59
Rot. Bonds5

About (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one

(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one (PubChem CID 23260561) has the molecular formula C20H34O5Si and a molecular weight of 382.57 g/mol. Its IUPAC name is (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one.

Molecular Properties

Compound Name(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one
PubChem CID23260561
Molecular FormulaC20H34O5Si
Molecular Weight382.57 g/mol
Exact Mass382.22
IUPAC Name(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one
SMILESCOC1(OC)C=CC(=O)C2=C1C[C@H](C(C)O)C[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O5Si/c1-13(21)14-11-15-18(16(22)9-10-20(15,23-5)24-6)17(12-14)25-26(7,8)19(2,3)4/h9-10,13-14,17,21H,11-12H2,1-8H3/t13?,14-,17+/m0/s1
InChIKeyAZNRWDRBECRHKZ-XLGXCUCASA-N
XLogP3.59
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one?
The IUPAC name of (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one (CID 23260561) is (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one.
What is the SMILES notation for (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one?
The canonical SMILES for (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one is COC1(OC)C=CC(=O)C2=C1C[C@H](C(C)O)C[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one?
The InChIKey is AZNRWDRBECRHKZ-XLGXCUCASA-N. The full InChI is InChI=1S/C20H34O5Si/c1-13(21)14-11-15-18(16(22)9-10-20(15,23-5)24-6)17(12-14)25-26(7,8)19(2,3)4/h9-10,13-14,17,21H,11-12H2,1-8H3/t13?,14-,17+/m0/s1.
What are the key properties of (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one?
(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one has a molecular weight of 382.57 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-(1-hydroxyethyl)-4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one is sourced from PubChem (CID 23260561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).