(Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one

C19H40O3Si2 — CID 177421928

IUPAC(Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one
SMILESCC(/C=C\C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-15(21-23(9,10)18(3,4)5)13-14-17(20)16(2)22-24(11,12)19(6,7)8/h13-16H,1-12H3/b14-13-/t15?,16-/m0/s1
InChIKeyIJNAOPKJOUBAIP-UYAARWOYSA-N
MW372.70 g/mol
LogP5.93
Rot. Bonds7

About (Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one

(Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one (PubChem CID 177421928) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is (Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one.

Molecular Properties

Compound Name(Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one
PubChem CID177421928
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name(Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one
SMILESCC(/C=C\C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-15(21-23(9,10)18(3,4)5)13-14-17(20)16(2)22-24(11,12)19(6,7)8/h13-16H,1-12H3/b14-13-/t15?,16-/m0/s1
InChIKeyIJNAOPKJOUBAIP-UYAARWOYSA-N
XLogP5.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.93
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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Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one?
The IUPAC name of (Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one (CID 177421928) is (Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one.
What is the SMILES notation for (Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one?
The canonical SMILES for (Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one is CC(/C=C\C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one?
The InChIKey is IJNAOPKJOUBAIP-UYAARWOYSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-15(21-23(9,10)18(3,4)5)13-14-17(20)16(2)22-24(11,12)19(6,7)8/h13-16H,1-12H3/b14-13-/t15?,16-/m0/s1.
What are the key properties of (Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one?
(Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one has a molecular weight of 372.70 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-en-3-one is sourced from PubChem (CID 177421928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).