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

C14H30O4Si — CID 146166966

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one
SMILESCOCOCC(=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-14(2,3)19(5,6)18-10-8-7-9-13(15)11-17-12-16-4/h7-12H2,1-6H3
InChIKeyHNGQDUACXMGKAC-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.37
Rot. Bonds10

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

6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one (PubChem CID 146166966) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one
PubChem CID146166966
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one
SMILESCOCOCC(=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-14(2,3)19(5,6)18-10-8-7-9-13(15)11-17-12-16-4/h7-12H2,1-6H3
InChIKeyHNGQDUACXMGKAC-UHFFFAOYSA-N
XLogP3.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.37
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

1-[Tert-butyl(dimethyl)silyl]oxy-6-(2-methoxypropan-2-yloxy)hexan-2-one
CID 10615541
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 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one (CID 146166966) is 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one is COCOCC(=O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one?
The InChIKey is HNGQDUACXMGKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-14(2,3)19(5,6)18-10-8-7-9-13(15)11-17-12-16-4/h7-12H2,1-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one?
6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one has a molecular weight of 290.48 g/mol, XLogP of 3.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)hexan-2-one is sourced from PubChem (CID 146166966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).