ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate

C22H46O4Si2 — CID 23251707

IUPACethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate
SMILESCCOC(=O)/C(C)=C/C(CCO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O4Si2/c1-13-24-20(23)18(2)16-19(17-26-28(11,12)22(6,7)8)14-15-25-27(9,10)21(3,4)5/h16,19H,13-15,17H2,1-12H3/b18-16+
InChIKeyHCNAYCSPIBJEDB-FBMGVBCBSA-N
MW430.78 g/mol
LogP6.55
Rot. Bonds10

About ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate

ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate (PubChem CID 23251707) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate.

Molecular Properties

Compound Nameethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate
PubChem CID23251707
Molecular FormulaC22H46O4Si2
Molecular Weight430.78 g/mol
Exact Mass430.29
IUPAC Nameethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate
SMILESCCOC(=O)/C(C)=C/C(CCO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O4Si2/c1-13-24-20(23)18(2)16-19(17-26-28(11,12)22(6,7)8)14-15-25-27(9,10)21(3,4)5/h16,19H,13-15,17H2,1-12H3/b18-16+
InChIKeyHCNAYCSPIBJEDB-FBMGVBCBSA-N
XLogP6.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.78
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylhept-2-enoate
CID 11080521
CID 13442959
CID 13442959
Ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15093069
(3E)-3-[(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butylidene]oxolan-2-one
CID 25137599
ethyl (E,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethoxymethyl]-2-methylhex-2-enoate
CID 44477892
(2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-2,3-dihydropyran-6-one
CID 46180224
ethyl (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-enoate
CID 49788313
CID 85521143
CID 85521143
diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate
CID 101412878
methyl (4R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylcyclohepta-1,5-diene-1-carboxylate
CID 101885886
Ethyl (2e,5s)-7-{[t-butyl(dimethyl)silyl]oxy}-methyl-5-methylocta-2,7-dienoate
CID 129758203
ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate
CID 134841576

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate?
The IUPAC name of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate (CID 23251707) is ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate.
What is the SMILES notation for ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate?
The canonical SMILES for ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate is CCOC(=O)/C(C)=C/C(CCO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate?
The InChIKey is HCNAYCSPIBJEDB-FBMGVBCBSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-13-24-20(23)18(2)16-19(17-26-28(11,12)22(6,7)8)14-15-25-27(9,10)21(3,4)5/h16,19H,13-15,17H2,1-12H3/b18-16+.
What are the key properties of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate?
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate has a molecular weight of 430.78 g/mol, XLogP of 6.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhex-2-enoate is sourced from PubChem (CID 23251707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).