(2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one

C19H34O4Si — CID 11221975

IUPAC(2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one
SMILESCC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2OC(=O)CC[C@H]2O1
InChIInChI=1S/C19H34O4Si/c1-7-8-9-10-15(23-24(5,6)19(2,3)4)17-13-16-14(21-17)11-12-18(20)22-16/h8-9,14-17H,7,10-13H2,1-6H3/b9-8+/t14-,15+,16-,17-/m1/s1
InChIKeyBZXZJDFVXMFTES-BSBWNSEHSA-N
MW354.56 g/mol
LogP4.60
Rot. Bonds6

About (2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one

(2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one (PubChem CID 11221975) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is (2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one.

Molecular Properties

Compound Name(2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one
PubChem CID11221975
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Name(2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one
SMILESCC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2OC(=O)CC[C@H]2O1
InChIInChI=1S/C19H34O4Si/c1-7-8-9-10-15(23-24(5,6)19(2,3)4)17-13-16-14(21-17)11-12-18(20)22-16/h8-9,14-17H,7,10-13H2,1-6H3/b9-8+/t14-,15+,16-,17-/m1/s1
InChIKeyBZXZJDFVXMFTES-BSBWNSEHSA-N
XLogP4.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one with MolForge

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Related Compounds

(1S,2R,5R,6R,7R,9R)-12,12-ditert-butyl-7-prop-2-enyl-5-trimethylsilyl-3,8,11,13-tetraoxa-12-silatricyclo[7.4.0.02,6]tridecan-4-one
CID 101270029
(3aR,4R,6R,7S,7aR)-7-[ditert-butyl(fluoro)silyl]oxy-4-prop-2-enyl-6-[tri(propan-2-yl)silyloxymethyl]-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyran-2-one
CID 101270031
2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one
CID 5388218
12-(5-Ethyl-2-tetrahydrofuranyl)-12-trimethylsilyloxy-9(Z)-dodecenoic acid,methyl ester
CID 5366685
2-[1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one
CID 365794
methyl 2-[(2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate
CID 10431000
(5S)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxytridec-2-enyl]oxolan-2-one
CID 10596921
(5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-2-enyl]oxolan-2-one
CID 10739555
[(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-oxo-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate
CID 11156169
5-[(2S,5S)-5-[(2S,5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxyundec-4-enyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
CID 11214370
(2R,3aR,7aR)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one
CID 11290340
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one
CID 11338453

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one?
The IUPAC name of (2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one (CID 11221975) is (2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one.
What is the SMILES notation for (2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one?
The canonical SMILES for (2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one is CC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2OC(=O)CC[C@H]2O1.
What is the InChIKey of (2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one?
The InChIKey is BZXZJDFVXMFTES-BSBWNSEHSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-7-8-9-10-15(23-24(5,6)19(2,3)4)17-13-16-14(21-17)11-12-18(20)22-16/h8-9,14-17H,7,10-13H2,1-6H3/b9-8+/t14-,15+,16-,17-/m1/s1.
What are the key properties of (2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one?
(2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one has a molecular weight of 354.56 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,7aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5-one is sourced from PubChem (CID 11221975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).