(4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one

C17H32O4Si — CID 10735076

IUPAC(4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]2(CCCCC2=O)O1
InChIInChI=1S/C17H32O4Si/c1-15(2,3)22(6,7)19-12-14-17(21-16(4,5)20-14)11-9-8-10-13(17)18/h14H,8-12H2,1-7H3/t14-,17-/m1/s1
InChIKeyBAIAQZVZXLYBDX-RHSMWYFYSA-N
MW328.53 g/mol
LogP4.04
Rot. Bonds3

About (4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one

(4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one (PubChem CID 10735076) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is (4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one
PubChem CID10735076
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name(4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]2(CCCCC2=O)O1
InChIInChI=1S/C17H32O4Si/c1-15(2,3)22(6,7)19-12-14-17(21-16(4,5)20-14)11-9-8-10-13(17)18/h14H,8-12H2,1-7H3/t14-,17-/m1/s1
InChIKeyBAIAQZVZXLYBDX-RHSMWYFYSA-N
XLogP4.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.04
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

(4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 102409648
(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 164670629
(4S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11313517
(2S)-2-[(4R,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
CID 11336490
1-[(4R,5S)-5-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11515733
2-[5-[1-[Tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one
CID 14105470
(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one
CID 14105472
1-[(3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-1,3-benzodioxol-3a-yl]propan-2-one
CID 15515436
(2S)-2-[(4R,5R)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxypropanal
CID 44232639
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 53230773
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 53230885
(4S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 102178161

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one?
The IUPAC name of (4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one (CID 10735076) is (4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one.
What is the SMILES notation for (4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one?
The canonical SMILES for (4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one is CC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]2(CCCCC2=O)O1.
What is the InChIKey of (4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one?
The InChIKey is BAIAQZVZXLYBDX-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-15(2,3)22(6,7)19-12-14-17(21-16(4,5)20-14)11-9-8-10-13(17)18/h14H,8-12H2,1-7H3/t14-,17-/m1/s1.
What are the key properties of (4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one?
(4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one has a molecular weight of 328.53 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-6-one is sourced from PubChem (CID 10735076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).