1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one

C16H34O4Si — CID 10615541

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one
SMILESCOC(C)(C)OCCCCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si/c1-15(2,3)21(7,8)20-13-14(17)11-9-10-12-19-16(4,5)18-6/h9-13H2,1-8H3
InChIKeyJMURHRGOTALMBG-UHFFFAOYSA-N
MW318.53 g/mol
LogP4.15
Rot. Bonds10

About 1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one

1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one (PubChem CID 10615541) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one
PubChem CID10615541
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one
SMILESCOC(C)(C)OCCCCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si/c1-15(2,3)21(7,8)20-13-14(17)11-9-10-12-19-16(4,5)18-6/h9-13H2,1-8H3
InChIKeyJMURHRGOTALMBG-UHFFFAOYSA-N
XLogP4.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-[Tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one
CID 146166966
4-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 10828234
(4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 15350448

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one (CID 10615541) is 1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one is COC(C)(C)OCCCCC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one?
The InChIKey is JMURHRGOTALMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-15(2,3)21(7,8)20-13-14(17)11-9-10-12-19-16(4,5)18-6/h9-13H2,1-8H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one?
1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one has a molecular weight of 318.53 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one is sourced from PubChem (CID 10615541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).