4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one

C19H36O4Si — CID 11348848

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one
SMILESCC(C)CCCCC(=O)C1C(=O)OCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-14(2)10-8-9-11-16(20)17-15(12-22-18(17)21)13-23-24(6,7)19(3,4)5/h14-15,17H,8-13H2,1-7H3
InChIKeyOCPIGCHJLUAUTL-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.58
Rot. Bonds9

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one (PubChem CID 11348848) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one
PubChem CID11348848
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one
SMILESCC(C)CCCCC(=O)C1C(=O)OCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-14(2)10-8-9-11-16(20)17-15(12-22-18(17)21)13-23-24(6,7)19(3,4)5/h14-15,17H,8-13H2,1-7H3
InChIKeyOCPIGCHJLUAUTL-UHFFFAOYSA-N
XLogP4.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 7-[(1S,2R,3R)-5-oxo-2-tributylstannyl-3-triethylsilyloxycyclopentyl]heptanoate
CID 14297154
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycarbonyl-2-methylnonanoic acid
CID 15605725
(1S,6S,9R,13R,14S,17R,19S)-14-[tert-butyl(dimethyl)silyl]oxy-6,13,19-trimethyl-9-propyl-8,20-dioxabicyclo[15.2.1]icosane-7,11,15-trione
CID 134939081
[(3R,4S,5R)-2,4-dimethyl-7-oxo-3-triethylsilyloxynonan-5-yl] acetate
CID 134969676
Ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate
CID 135070686
methyl (2S,3S,4S)-4-methyl-5-oxo-2-(14-oxopentadecyl)oxolane-3-carboxylate
CID 10667620
Diethyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]propyl]propanedioate
CID 19904701
Methyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclopentyl]heptanoate
CID 56991414
Ethyl 2-acetyl-8-(tert-butyldimethylsilyloxy)-2-methyloctanoate
CID 58165753
Methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate
CID 70021597
Diethyl 2-(8-triethylsilyloctyl)propanedioate
CID 86200662
Diethyl 2-(12-trimethylsilyldodecyl)propanedioate
CID 86200825

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one (CID 11348848) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one is CC(C)CCCCC(=O)C1C(=O)OCC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one?
The InChIKey is OCPIGCHJLUAUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-14(2)10-8-9-11-16(20)17-15(12-22-18(17)21)13-23-24(6,7)19(3,4)5/h14-15,17H,8-13H2,1-7H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one has a molecular weight of 356.58 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(6-methylheptanoyl)oxolan-2-one is sourced from PubChem (CID 11348848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).