(9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione

C26H46O5Si — CID 10310765

IUPAC(9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
SMILESCC(C)(C)[Si](C)(C)OC1CC/C=C/C(=O)CCCOCCOCCCC(=O)/C=C/CCC1
InChIInChI=1S/C26H46O5Si/c1-26(2,3)32(4,5)31-25-17-8-6-7-13-23(27)15-11-19-29-21-22-30-20-12-16-24(28)14-9-10-18-25/h7,9,13-14,25H,6,8,10-12,15-22H2,1-5H3/b13-7+,14-9+
InChIKeyLFSLEHMHCVXAAA-WWCAHYSFSA-N
MW466.74 g/mol
LogP6.19
Rot. Bonds2

About (9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione

(9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione (PubChem CID 10310765) has the molecular formula C26H46O5Si and a molecular weight of 466.74 g/mol. Its IUPAC name is (9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione.

Molecular Properties

Compound Name(9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
PubChem CID10310765
Molecular FormulaC26H46O5Si
Molecular Weight466.74 g/mol
Exact Mass466.31
IUPAC Name(9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
SMILESCC(C)(C)[Si](C)(C)OC1CC/C=C/C(=O)CCCOCCOCCCC(=O)/C=C/CCC1
InChIInChI=1S/C26H46O5Si/c1-26(2,3)32(4,5)31-25-17-8-6-7-13-23(27)15-11-19-29-21-22-30-20-12-16-24(28)14-9-10-18-25/h7,9,13-14,25H,6,8,10-12,15-22H2,1-5H3/b13-7+,14-9+
InChIKeyLFSLEHMHCVXAAA-WWCAHYSFSA-N
XLogP6.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.74
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
CID 10308748
13-[Tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
CID 91051646
12-[Tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione
CID 91109710
(9E,15E)-12-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacycloicosa-9,15-diene-8,17-dione
CID 10238290
(Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-en-2-one
CID 11760441
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyundec-5-en-4-one
CID 56593880
(5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one
CID 122205746

Frequently Asked Questions

What is the IUPAC name of (9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione?
The IUPAC name of (9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione (CID 10310765) is (9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione.
What is the SMILES notation for (9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione?
The canonical SMILES for (9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione is CC(C)(C)[Si](C)(C)OC1CC/C=C/C(=O)CCCOCCOCCCC(=O)/C=C/CCC1.
What is the InChIKey of (9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione?
The InChIKey is LFSLEHMHCVXAAA-WWCAHYSFSA-N. The full InChI is InChI=1S/C26H46O5Si/c1-26(2,3)32(4,5)31-25-17-8-6-7-13-23(27)15-11-19-29-21-22-30-20-12-16-24(28)14-9-10-18-25/h7,9,13-14,25H,6,8,10-12,15-22H2,1-5H3/b13-7+,14-9+.
What are the key properties of (9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione?
(9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione has a molecular weight of 466.74 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione is sourced from PubChem (CID 10310765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).