methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate

C29H39NO5Si — CID 135023890

IUPACmethyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate
SMILESCOC(=O)/C(=C/C(C)(C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN1CCOC1=O
InChIInChI=1S/C29H39NO5Si/c1-28(2,3)36(24-13-9-7-10-14-24,25-15-11-8-12-16-25)35-19-17-29(4,5)21-23(26(31)33-6)22-30-18-20-34-27(30)32/h7-16,21H,17-20,22H2,1-6H3/b23-21+
InChIKeyUNAPMSUIDYVDHN-XTQSDGFTSA-N
MW509.72 g/mol
LogP4.53
Rot. Bonds10

About methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate

methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate (PubChem CID 135023890) has the molecular formula C29H39NO5Si and a molecular weight of 509.72 g/mol. Its IUPAC name is methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate.

Molecular Properties

Compound Namemethyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate
PubChem CID135023890
Molecular FormulaC29H39NO5Si
Molecular Weight509.72 g/mol
Exact Mass509.26
IUPAC Namemethyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate
SMILESCOC(=O)/C(=C/C(C)(C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN1CCOC1=O
InChIInChI=1S/C29H39NO5Si/c1-28(2,3)36(24-13-9-7-10-14-24,25-15-11-8-12-16-25)35-19-17-29(4,5)21-23(26(31)33-6)22-30-18-20-34-27(30)32/h7-16,21H,17-20,22H2,1-6H3/b23-21+
InChIKeyUNAPMSUIDYVDHN-XTQSDGFTSA-N
XLogP4.53
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.72
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

CID 58999337
CID 58999337
3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one
CID 12018407
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate
CID 122217414
(4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 122364543
methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate
CID 177441848
methyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)pent-2-enoate
CID 177624794

Frequently Asked Questions

What is the IUPAC name of methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate?
The IUPAC name of methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate (CID 135023890) is methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate.
What is the SMILES notation for methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate?
The canonical SMILES for methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate is COC(=O)/C(=C/C(C)(C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN1CCOC1=O.
What is the InChIKey of methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate?
The InChIKey is UNAPMSUIDYVDHN-XTQSDGFTSA-N. The full InChI is InChI=1S/C29H39NO5Si/c1-28(2,3)36(24-13-9-7-10-14-24,25-15-11-8-12-16-25)35-19-17-29(4,5)21-23(26(31)33-6)22-30-18-20-34-27(30)32/h7-16,21H,17-20,22H2,1-6H3/b23-21+.
What are the key properties of methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate?
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate has a molecular weight of 509.72 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate is sourced from PubChem (CID 135023890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).