[tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate

C17H35ClO3Si2 — CID 10714716

IUPAC[tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate
SMILESCC(C)(C)[Si](C)(C)OCC/C(Cl)=C/C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35ClO3Si2/c1-16(2,3)22(7,8)20-12-11-14(18)13-15(19)21-23(9,10)17(4,5)6/h13H,11-12H2,1-10H3/b14-13-
InChIKeyAHFCTEBSSLIUJC-YPKPFQOOSA-N
MW379.09 g/mol
LogP6.07
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate

[tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate (PubChem CID 10714716) has the molecular formula C17H35ClO3Si2 and a molecular weight of 379.09 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate
PubChem CID10714716
Molecular FormulaC17H35ClO3Si2
Molecular Weight379.09 g/mol
Exact Mass378.18
IUPAC Name[tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate
SMILESCC(C)(C)[Si](C)(C)OCC/C(Cl)=C/C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35ClO3Si2/c1-16(2,3)22(7,8)20-12-11-14(18)13-15(19)21-23(9,10)17(4,5)6/h13H,11-12H2,1-10H3/b14-13-
InChIKeyAHFCTEBSSLIUJC-YPKPFQOOSA-N
XLogP6.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.09
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoic acid
CID 10849255
5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate
CID 91741643
5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one
CID 57382632
[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate
CID 5374163
3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid
CID 164815617
[(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane
CID 53330262
tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate
CID 136590573
4-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
CID 139681349
[tert-butyl(dimethyl)silyl] 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate
CID 91743862

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate (CID 10714716) is [tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate is CC(C)(C)[Si](C)(C)OCC/C(Cl)=C/C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate?
The InChIKey is AHFCTEBSSLIUJC-YPKPFQOOSA-N. The full InChI is InChI=1S/C17H35ClO3Si2/c1-16(2,3)22(7,8)20-12-11-14(18)13-15(19)21-23(9,10)17(4,5)6/h13H,11-12H2,1-10H3/b14-13-.
What are the key properties of [tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate?
[tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate has a molecular weight of 379.09 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate is sourced from PubChem (CID 10714716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).