methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate

C14H30O5Si2 — CID 100980667

IUPACmethyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate
SMILESCOC(=O)CCC[C@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O5Si2/c1-17-14(16)10-8-9-12(18-20(2,3)4)13(11-15)19-21(5,6)7/h11-13H,8-10H2,1-7H3/t12-,13+/m0/s1
InChIKeyVMVJJZIARQVKLV-QWHCGFSZSA-N
MW334.56 g/mol
LogP2.97
Rot. Bonds10

About methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate

methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate (PubChem CID 100980667) has the molecular formula C14H30O5Si2 and a molecular weight of 334.56 g/mol. Its IUPAC name is methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate.

Molecular Properties

Compound Namemethyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate
PubChem CID100980667
Molecular FormulaC14H30O5Si2
Molecular Weight334.56 g/mol
Exact Mass334.16
IUPAC Namemethyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate
SMILESCOC(=O)CCC[C@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O5Si2/c1-17-14(16)10-8-9-12(18-20(2,3)4)13(11-15)19-21(5,6)7/h11-13H,8-10H2,1-7H3/t12-,13+/m0/s1
InChIKeyVMVJJZIARQVKLV-QWHCGFSZSA-N
XLogP2.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.56
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl (5S,6S)-5,6-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-oxoheptanoate
CID 14463532
Dimethyl 3-trimethylsiloxy-heptanedioate
CID 552608
Methyl 5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxoheptanoate
CID 14463531
Methyl 7-oxo-3,5-bis(trimethylsilyloxy)heptanoate
CID 23352395
Methyl 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxoheptanoate
CID 23352459
(5S, 6R) methyl 5,6-di(tert-butyldimethylsiloxy)-7-oxoheptanoate
CID 86598271
Ethyl 6-oxo-5-trimethylsilyloxyhexanoate
CID 21768081
methyl (5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxo-6-trimethylsilyloxyheptanoate
CID 46201676
methyl (5S,6S)-7-oxo-5,6-bis(triethylsilyloxy)heptanoate
CID 100980669
dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate
CID 102505680

Frequently Asked Questions

What is the IUPAC name of methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate?
The IUPAC name of methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate (CID 100980667) is methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate.
What is the SMILES notation for methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate?
The canonical SMILES for methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate is COC(=O)CCC[C@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C.
What is the InChIKey of methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate?
The InChIKey is VMVJJZIARQVKLV-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H30O5Si2/c1-17-14(16)10-8-9-12(18-20(2,3)4)13(11-15)19-21(5,6)7/h11-13H,8-10H2,1-7H3/t12-,13+/m0/s1.
What are the key properties of methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate?
methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate has a molecular weight of 334.56 g/mol, XLogP of 2.97, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate is sourced from PubChem (CID 100980667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).