prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate

C23H46O4Si2 — CID 71544922

IUPACprop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate
SMILESC=CCOC(=O)/C=C(/C)C(CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O4Si2/c1-13-16-25-21(24)18-19(2)20(27-29(11,12)23(6,7)8)15-14-17-26-28(9,10)22(3,4)5/h13,18,20H,1,14-17H2,2-12H3/b19-18-
InChIKeyGRURHZQIIWZHSE-HNENSFHCSA-N
MW442.79 g/mol
LogP6.85
Rot. Bonds11

About prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate

prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate (PubChem CID 71544922) has the molecular formula C23H46O4Si2 and a molecular weight of 442.79 g/mol. Its IUPAC name is prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate
PubChem CID71544922
Molecular FormulaC23H46O4Si2
Molecular Weight442.79 g/mol
Exact Mass442.29
IUPAC Nameprop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate
SMILESC=CCOC(=O)/C=C(/C)C(CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O4Si2/c1-13-16-25-21(24)18-19(2)20(27-29(11,12)23(6,7)8)15-14-17-26-28(9,10)22(3,4)5/h13,18,20H,1,14-17H2,2-12H3/b19-18-
InChIKeyGRURHZQIIWZHSE-HNENSFHCSA-N
XLogP6.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.79
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
2-amino-5-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 175131179
(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
[9-[tert-butyl(dimethyl)silyl]oxy-3-methylidenenon-1-en-4-yl] methyl carbonate
CID 100970635
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
tert-butyl-dimethyl-(6-prop-2-enoxyhexoxy)silane
CID 11208040
prop-2-enyl 3,4,4-trimethylpent-2-enoate
CID 123572004
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
prop-2-enyl (Z)-3-acetyloxybut-2-enoate
CID 20836239
1-amino-5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 101445135
prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate
CID 101138901

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate?
The IUPAC name of prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate (CID 71544922) is prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate.
What is the SMILES notation for prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate?
The canonical SMILES for prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate is C=CCOC(=O)/C=C(/C)C(CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate?
The InChIKey is GRURHZQIIWZHSE-HNENSFHCSA-N. The full InChI is InChI=1S/C23H46O4Si2/c1-13-16-25-21(24)18-19(2)20(27-29(11,12)23(6,7)8)15-14-17-26-28(9,10)22(3,4)5/h13,18,20H,1,14-17H2,2-12H3/b19-18-.
What are the key properties of prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate?
prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate has a molecular weight of 442.79 g/mol, XLogP of 6.85, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate is sourced from PubChem (CID 71544922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).