dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate

C15H28O5Si — CID 11573263

IUPACdimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate
SMILESC=CC(CC(C(=O)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O5Si/c1-9-11(20-21(7,8)15(2,3)4)10-12(13(16)18-5)14(17)19-6/h9,11-12H,1,10H2,2-8H3
InChIKeyRQVWTDRSMVMPRB-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.92
Rot. Bonds7

About dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate

dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate (PubChem CID 11573263) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate
PubChem CID11573263
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Namedimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate
SMILESC=CC(CC(C(=O)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O5Si/c1-9-11(20-21(7,8)15(2,3)4)10-12(13(16)18-5)14(17)19-6/h9,11-12H,1,10H2,2-8H3
InChIKeyRQVWTDRSMVMPRB-UHFFFAOYSA-N
XLogP2.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 11499712
5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 72985598
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
[(4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,7-dien-2-yl] acetate
CID 102139753
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 156749640
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
dimethyl 2-[(2S,4S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylhexyl]propanedioate
CID 11235051
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate
CID 139257725
(2E)-5-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal
CID 101352532

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate?
The IUPAC name of dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate (CID 11573263) is dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate is C=CC(CC(C(=O)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate?
The InChIKey is RQVWTDRSMVMPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-9-11(20-21(7,8)15(2,3)4)10-12(13(16)18-5)14(17)19-6/h9,11-12H,1,10H2,2-8H3.
What are the key properties of dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate?
dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate has a molecular weight of 316.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate is sourced from PubChem (CID 11573263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).