methyl 11-methyl-3-oxododec-6-enoate

C14H24O3 — CID 71389368

IUPACmethyl 11-methyl-3-oxododec-6-enoate
SMILESCOC(=O)CC(=O)CCC=CCCCC(C)C
InChIInChI=1S/C14H24O3/c1-12(2)9-7-5-4-6-8-10-13(15)11-14(16)17-3/h4,6,12H,5,7-11H2,1-3H3
InChIKeyRTZHCIFLHDCFPN-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.28
Rot. Bonds9

About methyl 11-methyl-3-oxododec-6-enoate

methyl 11-methyl-3-oxododec-6-enoate (PubChem CID 71389368) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is methyl 11-methyl-3-oxododec-6-enoate.

Molecular Properties

Compound Namemethyl 11-methyl-3-oxododec-6-enoate
PubChem CID71389368
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namemethyl 11-methyl-3-oxododec-6-enoate
SMILESCOC(=O)CC(=O)CCC=CCCCC(C)C
InChIInChI=1S/C14H24O3/c1-12(2)9-7-5-4-6-8-10-13(15)11-14(16)17-3/h4,6,12H,5,7-11H2,1-3H3
InChIKeyRTZHCIFLHDCFPN-UHFFFAOYSA-N
XLogP3.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-17-methyloctadec-4-enoate
CID 10686436
methyl 3-oxonon-6-enoate
CID 54100813
methyl (E)-15-methylhexadec-11-enoate
CID 5364661
methyl 14-methylpentadec-10-enoate
CID 118599301
methyl (Z)-28-methyl-20,25-dioxononacos-10-enoate
CID 91065642
methyl (5R)-5,9-dimethyl-3-oxodecanoate
CID 14369249
dimethyl (E)-oct-4-enedioate
CID 15585051
methyl 21-methyldocosanoate
CID 14178788
methyl 12-methyltridec-9-enoate
CID 140574334
methyl (E)-14-methylhexadec-9-enoate
CID 91695396
methyl (6R)-6-methyl-3-oxooct-7-enoate
CID 134731255
methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate
CID 24853912

Frequently Asked Questions

What is the IUPAC name of methyl 11-methyl-3-oxododec-6-enoate?
The IUPAC name of methyl 11-methyl-3-oxododec-6-enoate (CID 71389368) is methyl 11-methyl-3-oxododec-6-enoate.
What is the SMILES notation for methyl 11-methyl-3-oxododec-6-enoate?
The canonical SMILES for methyl 11-methyl-3-oxododec-6-enoate is COC(=O)CC(=O)CCC=CCCCC(C)C.
What is the InChIKey of methyl 11-methyl-3-oxododec-6-enoate?
The InChIKey is RTZHCIFLHDCFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-12(2)9-7-5-4-6-8-10-13(15)11-14(16)17-3/h4,6,12H,5,7-11H2,1-3H3.
What are the key properties of methyl 11-methyl-3-oxododec-6-enoate?
methyl 11-methyl-3-oxododec-6-enoate has a molecular weight of 240.34 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-methyl-3-oxododec-6-enoate is sourced from PubChem (CID 71389368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).