(2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione

C16H28O4Si — CID 139261292

IUPAC(2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione
SMILESC[C@@H]1CCC(=O)/C=C\[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C16H28O4Si/c1-12-7-8-13(17)9-10-14(11-15(18)19-12)20-21(5,6)16(2,3)4/h9-10,12,14H,7-8,11H2,1-6H3/b10-9-/t12-,14-/m1/s1
InChIKeyVQQIGQAJYHTMQE-YJCXCIGHSA-N
MW312.48 g/mol
LogP3.62
Rot. Bonds2

About (2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione

(2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione (PubChem CID 139261292) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is (2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione.

Molecular Properties

Compound Name(2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione
PubChem CID139261292
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Name(2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione
SMILESC[C@@H]1CCC(=O)/C=C\[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C16H28O4Si/c1-12-7-8-13(17)9-10-14(11-15(18)19-12)20-21(5,6)16(2,3)4/h9-10,12,14H,7-8,11H2,1-6H3/b10-9-/t12-,14-/m1/s1
InChIKeyVQQIGQAJYHTMQE-YJCXCIGHSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione with MolForge

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Launch Full Analysis

Related Compounds

ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate
CID 57327645
[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-oxocyclohex-2-en-1-yl] acetate
CID 102288158
[(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 102443003
(R,Z)-Methyl 7-(5-oxo-3-((triethylsilyl)oxy)cyclopent-1-en-1-yl)hept-5-enoate
CID 10981066
(R,Z)-Methyl 7-(3-((tert-butyldimethylsilyl)oxy)-5-oxocyclopent-1-en-1-yl)hept-5-enoate
CID 11057306
ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate
CID 13427683
(Z)-Methyl 7-(3-((tert-butyldimethylsilyl)oxy)-5-oxocyclopent-1-en-1-yl)hept-5-enoate
CID 13427731
ethyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]hept-5-enoate
CID 53915870
(R,Z)-Methyl 7-(3-((tert-butyldimethylsilyl)-oxy)-5-oxocyclopent-1-en-1-yl)hept-5-enoate
CID 54003117
Isopropyl (R,Z)-7-(3-((tert-butyldimethylsilyl)oxy)-5-oxocyclopent-1-en-1-yl)hept-5-enoate
CID 57912492
propan-2-yl (Z)-7-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate
CID 57912510
[(E)-but-2-enyl] (Z)-7-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate
CID 59941497

Frequently Asked Questions

What is the IUPAC name of (2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione?
The IUPAC name of (2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione (CID 139261292) is (2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione.
What is the SMILES notation for (2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione?
The canonical SMILES for (2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione is C[C@@H]1CCC(=O)/C=C\[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1.
What is the InChIKey of (2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione?
The InChIKey is VQQIGQAJYHTMQE-YJCXCIGHSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-12-7-8-13(17)9-10-14(11-15(18)19-12)20-21(5,6)16(2,3)4/h9-10,12,14H,7-8,11H2,1-6H3/b10-9-/t12-,14-/m1/s1.
What are the key properties of (2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione?
(2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione has a molecular weight of 312.48 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione is sourced from PubChem (CID 139261292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).