(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one

C16H30O4Si — CID 102257346

IUPAC(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1OC2(CCCCC2)OC1=O
InChIInChI=1S/C16H30O4Si/c1-15(2,3)21(4,5)18-12-9-13-14(17)20-16(19-13)10-7-6-8-11-16/h13H,6-12H2,1-5H3/t13-/m0/s1
InChIKeyRQQBAGHCNMTJCI-ZDUSSCGKSA-N
MW314.50 g/mol
LogP4.00
Rot. Bonds4

About (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one

(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one (PubChem CID 102257346) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one
PubChem CID102257346
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1OC2(CCCCC2)OC1=O
InChIInChI=1S/C16H30O4Si/c1-15(2,3)21(4,5)18-12-9-13-14(17)20-16(19-13)10-7-6-8-11-16/h13H,6-12H2,1-5H3/t13-/m0/s1
InChIKeyRQQBAGHCNMTJCI-ZDUSSCGKSA-N
XLogP4.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
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 (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one?
The IUPAC name of (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one (CID 102257346) is (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one.
What is the SMILES notation for (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one?
The canonical SMILES for (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one is CC(C)(C)[Si](C)(C)OCC[C@@H]1OC2(CCCCC2)OC1=O.
What is the InChIKey of (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one?
The InChIKey is RQQBAGHCNMTJCI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-15(2,3)21(4,5)18-12-9-13-14(17)20-16(19-13)10-7-6-8-11-16/h13H,6-12H2,1-5H3/t13-/m0/s1.
What are the key properties of (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one?
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one has a molecular weight of 314.50 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one is sourced from PubChem (CID 102257346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).