tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate

C22H36O4Si — CID 134946754

IUPACtert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate
SMILESC=C[C@H](C)C1O[Si]2(C/C=C\C)O[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C2=C1C
InChIInChI=1S/C22H36O4Si/c1-10-12-13-27-20(16(4)19(26-27)15(3)11-2)22(8,9)17(25-27)14-18(23)24-21(5,6)7/h10-12,15,17,19H,2,13-14H2,1,3-9H3/b12-10-/t15-,17-,19?,27?/m0/s1
InChIKeyCNPMVQNUMHZZOV-WGGRKQPHSA-N
MW392.61 g/mol
LogP5.24
Rot. Bonds6

About tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate

tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate (PubChem CID 134946754) has the molecular formula C22H36O4Si and a molecular weight of 392.61 g/mol. Its IUPAC name is tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate
PubChem CID134946754
Molecular FormulaC22H36O4Si
Molecular Weight392.61 g/mol
Exact Mass392.24
IUPAC Nametert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate
SMILESC=C[C@H](C)C1O[Si]2(C/C=C\C)O[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C2=C1C
InChIInChI=1S/C22H36O4Si/c1-10-12-13-27-20(16(4)19(26-27)15(3)11-2)22(8,9)17(25-27)14-18(23)24-21(5,6)7/h10-12,15,17,19H,2,13-14H2,1,3-9H3/b12-10-/t15-,17-,19?,27?/m0/s1
InChIKeyCNPMVQNUMHZZOV-WGGRKQPHSA-N
XLogP5.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.61
LogP ≤ 55.24
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 tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate with MolForge

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Related Compounds

tert-butyl 2-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]acetate
CID 132509998
tert-butyl hex-4-enoate
CID 86102608
tert-butyl (4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanoate
CID 11680774
tert-butyl 4-methylpentanoate
CID 14724205
ethyl (E)-3-[(4S,6R)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxan-4-yl]prop-2-enoate
CID 10426646
tert-butyl 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 68878336
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoate
CID 12680495
(2S)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58818226
tert-butyl 3-[(Z)-but-2-enyl]sulfanyl-3-methylbutanoate
CID 142239294
[(2S)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxo-1-prop-2-enoxypentan-2-yl]azanium
CID 7015064
5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-prop-2-enoxycarbonylpentanoic acid
CID 154734289
tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 122670979

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate?
The IUPAC name of tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate (CID 134946754) is tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate?
The canonical SMILES for tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate is C=C[C@H](C)C1O[Si]2(C/C=C\C)O[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C2=C1C.
What is the InChIKey of tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate?
The InChIKey is CNPMVQNUMHZZOV-WGGRKQPHSA-N. The full InChI is InChI=1S/C22H36O4Si/c1-10-12-13-27-20(16(4)19(26-27)15(3)11-2)22(8,9)17(25-27)14-18(23)24-21(5,6)7/h10-12,15,17,19H,2,13-14H2,1,3-9H3/b12-10-/t15-,17-,19?,27?/m0/s1.
What are the key properties of tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate?
tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate has a molecular weight of 392.61 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2S)-7-[(Z)-but-2-enyl]-5-[(2S)-but-3-en-2-yl]-3,3,4-trimethyl-2,5-dihydrooxasilolo[2,3-b]oxasilol-2-yl]acetate is sourced from PubChem (CID 134946754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).