2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid

C15H30O5Si — CID 18716195

IUPAC2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H](CC(=O)O)O1
InChIInChI=1S/C15H30O5Si/c1-14(2,3)21(6,7)18-10-12-8-11(9-13(16)17)19-15(4,5)20-12/h11-12H,8-10H2,1-7H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyGHMVIKMLVUKOHT-NEPJUHHUSA-N
MW318.49 g/mol
LogP3.39
Rot. Bonds5

About 2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid

2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid (PubChem CID 18716195) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
PubChem CID18716195
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H](CC(=O)O)O1
InChIInChI=1S/C15H30O5Si/c1-14(2,3)21(6,7)18-10-12-8-11(9-13(16)17)19-15(4,5)20-12/h11-12H,8-10H2,1-7H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyGHMVIKMLVUKOHT-NEPJUHHUSA-N
XLogP3.39
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid?
The IUPAC name of 2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid (CID 18716195) is 2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid?
The canonical SMILES for 2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid is CC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H](CC(=O)O)O1.
What is the InChIKey of 2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid?
The InChIKey is GHMVIKMLVUKOHT-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-14(2,3)21(6,7)18-10-12-8-11(9-13(16)17)19-15(4,5)20-12/h11-12H,8-10H2,1-7H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of 2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid?
2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid has a molecular weight of 318.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid is sourced from PubChem (CID 18716195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).