(3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one

C19H34O5Si — CID 11474184

IUPAC(3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one
SMILESC=C[C@@]1(CC)O[C@]2(CO[Si](C)(C)C(C)(C)C)CC(=O)O[C@]2(CC)[C@@H]1O
InChIInChI=1S/C19H34O5Si/c1-9-17(10-2)15(21)19(11-3)18(24-17,12-14(20)23-19)13-22-25(7,8)16(4,5)6/h9,15,21H,1,10-13H2,2-8H3/t15-,17+,18+,19-/m1/s1
InChIKeyQLHXNZMQAYOYQO-XGXHKWSGSA-N
MW370.56 g/mol
LogP3.57
Rot. Bonds6

About (3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one

(3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one (PubChem CID 11474184) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is (3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one.

Molecular Properties

Compound Name(3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one
PubChem CID11474184
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name(3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one
SMILESC=C[C@@]1(CC)O[C@]2(CO[Si](C)(C)C(C)(C)C)CC(=O)O[C@]2(CC)[C@@H]1O
InChIInChI=1S/C19H34O5Si/c1-9-17(10-2)15(21)19(11-3)18(24-17,12-14(20)23-19)13-22-25(7,8)16(4,5)6/h9,15,21H,1,10-13H2,2-8H3/t15-,17+,18+,19-/m1/s1
InChIKeyQLHXNZMQAYOYQO-XGXHKWSGSA-N
XLogP3.57
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one with MolForge

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Related Compounds

methyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-ethenyl-3-hydroxyoxolane-2-carboxylate
CID 135020851
[(3R,4S)-4-hydroxy-4-methylhex-5-en-3-yl] (2R,3S,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoate
CID 54578587
methyl (2S)-2-[(3aR,6aS)-6a-[(1S,2S,3R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxyhex-5-enyl]-4-oxo-6H-furo[3,4-d][1,3]dioxol-3a-yl]-2-hydroxyacetate
CID 100978959
methyl (2S)-2-[(3aS,6aR)-6a-[(1R,2R,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxyhex-5-enyl]-4-oxo-6H-furo[3,4-d][1,3]dioxol-3a-yl]-2-hydroxyacetate
CID 100978960
(1R,4R,5S)-4-[(1R,2S)-1-hydroxy-2-methoxybut-3-enyl]-7,7-dimethyl-1-[(1R)-3-methyl-1-triethylsilyloxybut-3-enyl]-2-oxabicyclo[3.2.0]heptan-3-one
CID 101739525

Frequently Asked Questions

What is the IUPAC name of (3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one?
The IUPAC name of (3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one (CID 11474184) is (3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one.
What is the SMILES notation for (3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one?
The canonical SMILES for (3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one is C=C[C@@]1(CC)O[C@]2(CO[Si](C)(C)C(C)(C)C)CC(=O)O[C@]2(CC)[C@@H]1O.
What is the InChIKey of (3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one?
The InChIKey is QLHXNZMQAYOYQO-XGXHKWSGSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-9-17(10-2)15(21)19(11-3)18(24-17,12-14(20)23-19)13-22-25(7,8)16(4,5)6/h9,15,21H,1,10-13H2,2-8H3/t15-,17+,18+,19-/m1/s1.
What are the key properties of (3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one?
(3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one has a molecular weight of 370.56 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,6R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-5,6a-diethyl-6-hydroxy-3,6-dihydrofuro[3,2-b]furan-2-one is sourced from PubChem (CID 11474184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).