(3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione

C22H42O4Si2 — CID 11373685

IUPAC(3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione
SMILESCC(=O)/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](/C=C/C(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O4Si2/c1-17(23)13-15-19(25-27(9,10)21(3,4)5)20(16-14-18(2)24)26-28(11,12)22(6,7)8/h13-16,19-20H,1-12H3/b15-13+,16-14+/t19-,20-/m1/s1
InChIKeyHEVHIJZDBBAZAO-AFYOVXRGSA-N
MW426.75 g/mol
LogP6.06
Rot. Bonds9

About (3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione

(3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione (PubChem CID 11373685) has the molecular formula C22H42O4Si2 and a molecular weight of 426.75 g/mol. Its IUPAC name is (3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione.

Molecular Properties

Compound Name(3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione
PubChem CID11373685
Molecular FormulaC22H42O4Si2
Molecular Weight426.75 g/mol
Exact Mass426.26
IUPAC Name(3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione
SMILESCC(=O)/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](/C=C/C(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O4Si2/c1-17(23)13-15-19(25-27(9,10)21(3,4)5)20(16-14-18(2)24)26-28(11,12)22(6,7)8/h13-16,19-20H,1-12H3/b15-13+,16-14+/t19-,20-/m1/s1
InChIKeyHEVHIJZDBBAZAO-AFYOVXRGSA-N
XLogP6.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.75
LogP ≤ 56.06
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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Frequently Asked Questions

What is the IUPAC name of (3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione?
The IUPAC name of (3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione (CID 11373685) is (3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione.
What is the SMILES notation for (3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione?
The canonical SMILES for (3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione is CC(=O)/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](/C=C/C(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione?
The InChIKey is HEVHIJZDBBAZAO-AFYOVXRGSA-N. The full InChI is InChI=1S/C22H42O4Si2/c1-17(23)13-15-19(25-27(9,10)21(3,4)5)20(16-14-18(2)24)26-28(11,12)22(6,7)8/h13-16,19-20H,1-12H3/b15-13+,16-14+/t19-,20-/m1/s1.
What are the key properties of (3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione?
(3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione has a molecular weight of 426.75 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5R,6R,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]deca-3,7-diene-2,9-dione is sourced from PubChem (CID 11373685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).