(3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one

C18H28O6Si — CID 57409059

IUPAC(3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one
SMILESCOc1cc2c(cc1OC)[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)OC2=O
InChIInChI=1S/C18H28O6Si/c1-18(2,3)25(6,7)23-10-13(19)16-11-8-14(21-4)15(22-5)9-12(11)17(20)24-16/h8-9,13,16,19H,10H2,1-7H3/t13-,16-/m1/s1
InChIKeyVGWVVZQZXRORSS-CZUORRHYSA-N
MW368.50 g/mol
LogP3.30
Rot. Bonds6

About (3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one

(3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one (PubChem CID 57409059) has the molecular formula C18H28O6Si and a molecular weight of 368.50 g/mol. Its IUPAC name is (3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one
PubChem CID57409059
Molecular FormulaC18H28O6Si
Molecular Weight368.50 g/mol
Exact Mass368.17
IUPAC Name(3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one
SMILESCOc1cc2c(cc1OC)[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)OC2=O
InChIInChI=1S/C18H28O6Si/c1-18(2,3)25(6,7)23-10-13(19)16-11-8-14(21-4)15(22-5)9-12(11)17(20)24-16/h8-9,13,16,19H,10H2,1-7H3/t13-,16-/m1/s1
InChIKeyVGWVVZQZXRORSS-CZUORRHYSA-N
XLogP3.30
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-2-hydroxyacetate
CID 76526167
5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-carboxylic acid
CID 13221162
(2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one
CID 10670227
(2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one
CID 11780673
(2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2H-furan-5-one
CID 70622691
(5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium;triphenylphosphane;bromide
CID 162060424
(4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one
CID 10780718
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
methyl (E,4S,5R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-5-[(3,4-dimethoxyphenyl)methoxy]-4,6-dimethylhept-2-enoate
CID 102507183
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6,7-dimethoxy-3-[2-(methoxycarbonylamino)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 75306792
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one?
The IUPAC name of (3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one (CID 57409059) is (3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for (3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one?
The canonical SMILES for (3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one is COc1cc2c(cc1OC)[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)OC2=O.
What is the InChIKey of (3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one?
The InChIKey is VGWVVZQZXRORSS-CZUORRHYSA-N. The full InChI is InChI=1S/C18H28O6Si/c1-18(2,3)25(6,7)23-10-13(19)16-11-8-14(21-4)15(22-5)9-12(11)17(20)24-16/h8-9,13,16,19H,10H2,1-7H3/t13-,16-/m1/s1.
What are the key properties of (3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one?
(3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one has a molecular weight of 368.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 57409059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).