6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one

C16H30O5Si — CID 134941017

IUPAC6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(C[C@@H](O)CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O5Si/c1-15(2,3)22(6,7)19-9-8-12(17)10-13-11-14(18)21-16(4,5)20-13/h11-12,17H,8-10H2,1-7H3/t12-/m0/s1
InChIKeyRDDAUIOTEJPQNN-LBPRGKRZSA-N
MW330.50 g/mol
LogP3.34
Rot. Bonds6

About 6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 134941017) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID134941017
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(C[C@@H](O)CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H30O5Si/c1-15(2,3)22(6,7)19-9-8-12(17)10-13-11-14(18)21-16(4,5)20-13/h11-12,17H,8-10H2,1-7H3/t12-/m0/s1
InChIKeyRDDAUIOTEJPQNN-LBPRGKRZSA-N
XLogP3.34
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)butanoic acid
CID 24776625
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)-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-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11162696
6-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11199485
6-[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenoxypent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 15317843
(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-2,3-dihydropyran-6-one
CID 24770132
6-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 25033608
methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-2-enoate
CID 54716854
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)butanoic acid
CID 56642109

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 134941017) is 6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(C[C@@H](O)CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is RDDAUIOTEJPQNN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-15(2,3)22(6,7)19-9-8-12(17)10-13-11-14(18)21-16(4,5)20-13/h11-12,17H,8-10H2,1-7H3/t12-/m0/s1.
What are the key properties of 6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 330.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 134941017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).