tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate

C17H34O4Si — CID 10449334

IUPACtert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate
SMILESC=CC(O)CC(CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-10-13(18)11-14(12-15(19)20-16(2,3)4)21-22(8,9)17(5,6)7/h10,13-14,18H,1,11-12H2,2-9H3
InChIKeyYPHJSQUPBXBMRN-UHFFFAOYSA-N
MW330.54 g/mol
LogP4.05
Rot. Bonds7

About tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate

tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate (PubChem CID 10449334) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate.

Molecular Properties

Compound Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate
PubChem CID10449334
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate
SMILESC=CC(O)CC(CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-10-13(18)11-14(12-15(19)20-16(2,3)4)21-22(8,9)17(5,6)7/h10,13-14,18H,1,11-12H2,2-9H3
InChIKeyYPHJSQUPBXBMRN-UHFFFAOYSA-N
XLogP4.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhept-6-enoic acid
CID 11682821
(2R,3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhept-6-enoic acid
CID 25146383
methyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxytetradeca-6,8-dienoate
CID 25199404
methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate
CID 134904305
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate
CID 139257724
methyl (E,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7-iodo-2-methylhept-6-enoate
CID 155934416
Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate
CID 9964298
3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid
CID 11058201
Ethyl 3,5-dihydroxyhept-6-enoate
CID 13617280
ethyl (3S,5R)-3,5-dihydroxyhept-6-enoate
CID 13617281
ethyl 2-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate
CID 58782240
Ethyl 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 85350934

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate?
The IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate (CID 10449334) is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate.
What is the SMILES notation for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate?
The canonical SMILES for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate is C=CC(O)CC(CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate?
The InChIKey is YPHJSQUPBXBMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-10-13(18)11-14(12-15(19)20-16(2,3)4)21-22(8,9)17(5,6)7/h10,13-14,18H,1,11-12H2,2-9H3.
What are the key properties of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate?
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate has a molecular weight of 330.54 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-6-enoate is sourced from PubChem (CID 10449334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).