6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one

C16H26O4Si — CID 11162696

IUPAC6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(O)C#C[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H26O4Si/c1-15(2,3)21(6,7)9-8-12(17)10-13-11-14(18)20-16(4,5)19-13/h11-12,17H,10H2,1-7H3
InChIKeyCAGKGGDEPUGRCV-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.98
Rot. Bonds2

About 6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 11162696) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID11162696
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Name6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(O)C#C[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H26O4Si/c1-15(2,3)21(6,7)9-8-12(17)10-13-11-14(18)20-16(4,5)19-13/h11-12,17H,10H2,1-7H3
InChIKeyCAGKGGDEPUGRCV-UHFFFAOYSA-N
XLogP2.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 101380245
6-[(2R)-2-hydroxy-4-tri(propan-2-yl)silylbut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 101695142
6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134931361
6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134941017
6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134965967
6-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 10425922
6-[4-[Tert-butyl(dimethyl)silyl]-2-prop-2-enoxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11024556
6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 15317843
6-[(2S)-4-[tert-butyl(dimethyl)silyl]-2-prop-2-enoxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 15317854
6-[(Z,2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 101695143
6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
CID 177415071
6-[4-[Tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 177566584

Frequently Asked Questions

What is the IUPAC name of 6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 11162696) is 6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(CC(O)C#C[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is CAGKGGDEPUGRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-15(2,3)21(6,7)9-8-12(17)10-13-11-14(18)20-16(4,5)19-13/h11-12,17H,10H2,1-7H3.
What are the key properties of 6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 310.47 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 11162696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).