tert-butyl (6R)-6-methyl-9-oxononanoate

C14H26O3 — CID 10490374

IUPACtert-butyl (6R)-6-methyl-9-oxononanoate
SMILESC[C@@H](CCC=O)CCCCC(=O)OC(C)(C)C
InChIInChI=1S/C14H26O3/c1-12(9-7-11-15)8-5-6-10-13(16)17-14(2,3)4/h11-12H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyMPGLZIPVYBMPMD-GFCCVEGCSA-N
MW242.36 g/mol
LogP3.50
Rot. Bonds8

About tert-butyl (6R)-6-methyl-9-oxononanoate

tert-butyl (6R)-6-methyl-9-oxononanoate (PubChem CID 10490374) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl (6R)-6-methyl-9-oxononanoate.

Molecular Properties

Compound Nametert-butyl (6R)-6-methyl-9-oxononanoate
PubChem CID10490374
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nametert-butyl (6R)-6-methyl-9-oxononanoate
SMILESC[C@@H](CCC=O)CCCCC(=O)OC(C)(C)C
InChIInChI=1S/C14H26O3/c1-12(9-7-11-15)8-5-6-10-13(16)17-14(2,3)4/h11-12H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyMPGLZIPVYBMPMD-GFCCVEGCSA-N
XLogP3.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (Z)-8-methylnon-6-enoate
CID 133055756
ditert-butyl pentanedioate
CID 3016405
tert-butyl (3S)-3-hydroxy-6-oxohexanoate
CID 166706842
ditert-butyl (2S)-2-aminoheptanedioate
CID 129411968
tert-butyl (E)-9-methyl-8-oxodec-6-enoate
CID 157137993
tert-butyl (7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoate
CID 145043689
tert-butyl 4-methylpentanoate
CID 14724205
20-O-tert-butyl 1-O-(1-chloroethyl) icosanedioate
CID 177224881
tert-butyl 3-methyloctanoate
CID 118562795
tert-butyl 11-propan-2-ylsulfanylundecanoate
CID 164916233
tert-butyl octacosanoate
CID 174872722
tert-butyl 16-hydroxyhexadecanoate
CID 118542708

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6R)-6-methyl-9-oxononanoate?
The IUPAC name of tert-butyl (6R)-6-methyl-9-oxononanoate (CID 10490374) is tert-butyl (6R)-6-methyl-9-oxononanoate.
What is the SMILES notation for tert-butyl (6R)-6-methyl-9-oxononanoate?
The canonical SMILES for tert-butyl (6R)-6-methyl-9-oxononanoate is C[C@@H](CCC=O)CCCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (6R)-6-methyl-9-oxononanoate?
The InChIKey is MPGLZIPVYBMPMD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26O3/c1-12(9-7-11-15)8-5-6-10-13(16)17-14(2,3)4/h11-12H,5-10H2,1-4H3/t12-/m1/s1.
What are the key properties of tert-butyl (6R)-6-methyl-9-oxononanoate?
tert-butyl (6R)-6-methyl-9-oxononanoate has a molecular weight of 242.36 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6R)-6-methyl-9-oxononanoate is sourced from PubChem (CID 10490374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).