6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one

C20H34O4Si — CID 123484490

IUPAC6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC(=CC=CCCCO[Si](C)(C)C(C)(C)C)C1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C20H34O4Si/c1-16(17-15-18(21)24-20(5,6)23-17)13-11-9-10-12-14-22-25(7,8)19(2,3)4/h9,11,13,15H,10,12,14H2,1-8H3
InChIKeyVRUARARNVUKACE-UHFFFAOYSA-N
MW366.57 g/mol
LogP5.48
Rot. Bonds7

About 6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one

6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 123484490) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is 6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID123484490
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Name6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC(=CC=CCCCO[Si](C)(C)C(C)(C)C)C1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C20H34O4Si/c1-16(17-15-18(21)24-20(5,6)23-17)13-11-9-10-12-14-22-25(7,8)19(2,3)4/h9,11,13,15H,10,12,14H2,1-8H3
InChIKeyVRUARARNVUKACE-UHFFFAOYSA-N
XLogP5.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.57
LogP ≤ 55.48
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one (CID 123484490) is 6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one is CC(=CC=CCCCO[Si](C)(C)C(C)(C)C)C1=CC(=O)OC(C)(C)O1.
What is the InChIKey of 6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is VRUARARNVUKACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-16(17-15-18(21)24-20(5,6)23-17)13-11-9-10-12-14-22-25(7,8)19(2,3)4/h9,11,13,15H,10,12,14H2,1-8H3.
What are the key properties of 6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 366.57 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 123484490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).