tert-butyl (Z)-8-methylnon-6-enoate

C14H26O2 — CID 133055756

IUPACtert-butyl (Z)-8-methylnon-6-enoate
SMILESCC(C)/C=C\CCCCC(=O)OC(C)(C)C
InChIInChI=1S/C14H26O2/c1-12(2)10-8-6-7-9-11-13(15)16-14(3,4)5/h8,10,12H,6-7,9,11H2,1-5H3/b10-8-
InChIKeyVESAGHVLLAPJIY-NTMALXAHSA-N
MW226.36 g/mol
LogP4.10
Rot. Bonds6

About tert-butyl (Z)-8-methylnon-6-enoate

tert-butyl (Z)-8-methylnon-6-enoate (PubChem CID 133055756) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is tert-butyl (Z)-8-methylnon-6-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-8-methylnon-6-enoate
PubChem CID133055756
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nametert-butyl (Z)-8-methylnon-6-enoate
SMILESCC(C)/C=C\CCCCC(=O)OC(C)(C)C
InChIInChI=1S/C14H26O2/c1-12(2)10-8-6-7-9-11-13(15)16-14(3,4)5/h8,10,12H,6-7,9,11H2,1-5H3/b10-8-
InChIKeyVESAGHVLLAPJIY-NTMALXAHSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (E)-9-methyl-8-oxodec-6-enoate
CID 157137993
tert-butyl (Z)-triacont-21-enoate
CID 132563275
tert-butyl (6E)-nona-6,8-dienoate
CID 10081858
tert-butyl (5Z)-nona-5,8-dienoate
CID 130346489
ditert-butyl pentanedioate
CID 3016405
11-methyldodec-9-enoic acid
CID 76621229
tert-butyl (6R)-6-methyl-9-oxononanoate
CID 10490374
1-O-tert-butyl 10-O-methyl (E)-dec-3-enedioate
CID 134993700
2,3-dimethylbutan-2-yl (Z)-octadec-9-enoate
CID 87881240
tert-butyl dodeca-7,10,11-trienoate
CID 175392828
tert-butyl (6E,8S,9S,10R,11E)-13-hydroxy-8-methoxy-9-(methoxymethoxy)-10,12-dimethyltrideca-6,11-dienoate
CID 11603723
20-O-tert-butyl 1-O-(1-chloroethyl) icosanedioate
CID 177224881

Frequently Asked Questions

What is the IUPAC name of tert-butyl (Z)-8-methylnon-6-enoate?
The IUPAC name of tert-butyl (Z)-8-methylnon-6-enoate (CID 133055756) is tert-butyl (Z)-8-methylnon-6-enoate.
What is the SMILES notation for tert-butyl (Z)-8-methylnon-6-enoate?
The canonical SMILES for tert-butyl (Z)-8-methylnon-6-enoate is CC(C)/C=C\CCCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (Z)-8-methylnon-6-enoate?
The InChIKey is VESAGHVLLAPJIY-NTMALXAHSA-N. The full InChI is InChI=1S/C14H26O2/c1-12(2)10-8-6-7-9-11-13(15)16-14(3,4)5/h8,10,12H,6-7,9,11H2,1-5H3/b10-8-.
What are the key properties of tert-butyl (Z)-8-methylnon-6-enoate?
tert-butyl (Z)-8-methylnon-6-enoate has a molecular weight of 226.36 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (Z)-8-methylnon-6-enoate is sourced from PubChem (CID 133055756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).