(7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one

C15H28O4Si — CID 134855082

IUPAC(7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC2(CCC1=O)OCCO2
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(4,5)19-11-12-10-15(7-6-13(12)16)17-8-9-18-15/h12H,6-11H2,1-5H3/t12-/m0/s1
InChIKeyVPGXBKDVAUGMBH-LBPRGKRZSA-N
MW300.47 g/mol
LogP3.12
Rot. Bonds3

About (7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one

(7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one (PubChem CID 134855082) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one
PubChem CID134855082
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC2(CCC1=O)OCCO2
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(4,5)19-11-12-10-15(7-6-13(12)16)17-8-9-18-15/h12H,6-11H2,1-5H3/t12-/m0/s1
InChIKeyVPGXBKDVAUGMBH-LBPRGKRZSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide
CID 139332370
7-[(E)-but-2-enyl]-1,4-dioxaspiro[4.5]decan-8-one
CID 177206913
7-(4-chlorobutyl)-1,4-dioxaspiro[4.5]decan-8-one
CID 121003180
7-methoxy-1,4-dioxaspiro[4.5]decan-8-one
CID 123852944
9-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-1,4-dioxaspiro[4.5]decane-6,7-dione
CID 91115264
(7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one
CID 67092775
7-sulfanyl-1,4-dioxaspiro[4.5]decan-8-one
CID 87163817
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
(2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyl-2-methylcyclohexan-1-one
CID 162414307
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one
CID 135062140
7-(2,3,4,5,6-pentamethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-one
CID 134216232
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one
CID 91799042

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one?
The IUPAC name of (7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one (CID 134855082) is (7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for (7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for (7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CC2(CCC1=O)OCCO2.
What is the InChIKey of (7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one?
The InChIKey is VPGXBKDVAUGMBH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-14(2,3)20(4,5)19-11-12-10-15(7-6-13(12)16)17-8-9-18-15/h12H,6-11H2,1-5H3/t12-/m0/s1.
What are the key properties of (7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one?
(7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one has a molecular weight of 300.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 134855082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).