[(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane

C21H38O5Si — CID 11211698

IUPAC[(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane
SMILESC=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCC=C
InChIInChI=1S/C21H38O5Si/c1-10-12-13-15(26-27(8,9)20(3,4)5)16-17(22-14-11-2)18-19(23-16)25-21(6,7)24-18/h10-11,15-19H,1-2,12-14H2,3-9H3/t15-,16+,17-,18+,19+/m0/s1
InChIKeyOPWGXZNSUDPBAS-ZWJWXYIHSA-N
MW398.62 g/mol
LogP4.79
Rot. Bonds9

About [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane

[(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane (PubChem CID 11211698) has the molecular formula C21H38O5Si and a molecular weight of 398.62 g/mol. Its IUPAC name is [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane
PubChem CID11211698
Molecular FormulaC21H38O5Si
Molecular Weight398.62 g/mol
Exact Mass398.25
IUPAC Name[(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane
SMILESC=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCC=C
InChIInChI=1S/C21H38O5Si/c1-10-12-13-15(26-27(8,9)20(3,4)5)16-17(22-14-11-2)18-19(23-16)25-21(6,7)24-18/h10-11,15-19H,1-2,12-14H2,3-9H3/t15-,16+,17-,18+,19+/m0/s1
InChIKeyOPWGXZNSUDPBAS-ZWJWXYIHSA-N
XLogP4.79
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane with MolForge

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Related Compounds

2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethanol
CID 134930827
(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11782604
3-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2H-furan-5-one
CID 25189025
1-[(3aR,5S,6R,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethanone
CID 25189300
[(4R)-4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,1-difluoro-4-prop-2-enoxybutyl]-phenylmethoxyphosphinic acid
CID 100951850
(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-8-[(1S)-1-prop-2-enoxyethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 22858641
1-[(2R)-2-[(3aR,5S,6R,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl]-3-[(2S)-2-[(3aR,5S,6R,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl]-5-chlorobenzimidazol-2-one
CID 129438277
tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[(1S)-1-isothiocyanatoprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 134845885
(3aR,5R,6R,6aR)-2,2-dimethyl-6-prop-2-enoxy-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 11016185
(3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oct-7-en-1-yn-3-ol
CID 101154486
1-[(3aR,5R,6S,6aR)-6-(methoxymethoxy)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 135041165
[(3aR,6S,6aR)-5-ethynyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
CID 22831851

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane (CID 11211698) is [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane is C=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCC=C.
What is the InChIKey of [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is OPWGXZNSUDPBAS-ZWJWXYIHSA-N. The full InChI is InChI=1S/C21H38O5Si/c1-10-12-13-15(26-27(8,9)20(3,4)5)16-17(22-14-11-2)18-19(23-16)25-21(6,7)24-18/h10-11,15-19H,1-2,12-14H2,3-9H3/t15-,16+,17-,18+,19+/m0/s1.
What are the key properties of [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane?
[(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 398.62 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-4-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11211698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).