ethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate

C22H44O4Si2 — CID 139888274

IUPACethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
SMILESCCOC(=O)/C=C1\CCCCC1(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O4Si2/c1-12-24-19(23)17-18-15-13-14-16-22(18,25-27(8,9)20(2,3)4)26-28(10,11)21(5,6)7/h17H,12-16H2,1-11H3/b18-17+
InChIKeyGTMLOAPTXJPWNP-ISLYRVAYSA-N
MW428.76 g/mol
LogP6.79
Rot. Bonds6

About ethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate

ethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate (PubChem CID 139888274) has the molecular formula C22H44O4Si2 and a molecular weight of 428.76 g/mol. Its IUPAC name is ethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
PubChem CID139888274
Molecular FormulaC22H44O4Si2
Molecular Weight428.76 g/mol
Exact Mass428.28
IUPAC Nameethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
SMILESCCOC(=O)/C=C1\CCCCC1(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O4Si2/c1-12-24-19(23)17-18-15-13-14-16-22(18,25-27(8,9)20(2,3)4)26-28(10,11)21(5,6)7/h17H,12-16H2,1-11H3/b18-17+
InChIKeyGTMLOAPTXJPWNP-ISLYRVAYSA-N
XLogP6.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.76
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
CID 9823928
ethyl (E)-3-[(2R,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-oxoethylidene)oxan-2-yl]prop-2-enoate
CID 15934809
methyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
CID 10710401
ethyl (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]acetate
CID 14483734
ethyl (2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]acetate
CID 10983057
Ethyl (E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)acetate
CID 11080703
methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
CID 71486540
ethyl (E,7R,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enoate
CID 101549967
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate
CID 134846818
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-enoate
CID 135012258
(3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione
CID 138976732
ethyl (2E)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-ylidene]acetate
CID 138984028

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate?
The IUPAC name of ethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate (CID 139888274) is ethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate is CCOC(=O)/C=C1\CCCCC1(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate?
The InChIKey is GTMLOAPTXJPWNP-ISLYRVAYSA-N. The full InChI is InChI=1S/C22H44O4Si2/c1-12-24-19(23)17-18-15-13-14-16-22(18,25-27(8,9)20(2,3)4)26-28(10,11)21(5,6)7/h17H,12-16H2,1-11H3/b18-17+.
What are the key properties of ethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate?
ethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate has a molecular weight of 428.76 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[2,2-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate is sourced from PubChem (CID 139888274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).