methyl 2,10-dimethyl-3-oxoundec-9-enoate

C14H24O3 — CID 549709

IUPACmethyl 2,10-dimethyl-3-oxoundec-9-enoate
SMILESCOC(=O)C(C)C(=O)CCCCCC=C(C)C
InChIInChI=1S/C14H24O3/c1-11(2)9-7-5-6-8-10-13(15)12(3)14(16)17-4/h9,12H,5-8,10H2,1-4H3
InChIKeyLSSQZKGEEGMOTI-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.28
Rot. Bonds8

About methyl 2,10-dimethyl-3-oxoundec-9-enoate

methyl 2,10-dimethyl-3-oxoundec-9-enoate (PubChem CID 549709) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is methyl 2,10-dimethyl-3-oxoundec-9-enoate.

Molecular Properties

Compound Namemethyl 2,10-dimethyl-3-oxoundec-9-enoate
PubChem CID549709
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namemethyl 2,10-dimethyl-3-oxoundec-9-enoate
SMILESCOC(=O)C(C)C(=O)CCCCCC=C(C)C
InChIInChI=1S/C14H24O3/c1-11(2)9-7-5-6-8-10-13(15)12(3)14(16)17-4/h9,12H,5-8,10H2,1-4H3
InChIKeyLSSQZKGEEGMOTI-UHFFFAOYSA-N
XLogP3.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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 2-methyl-3-oxododecanoate
CID 86063741
methyl 13-methyltetradec-12-enoate
CID 24973726
20-methylhenicos-19-enamide
CID 87478015
dimethyl 2-(4-methylpent-3-enyl)propanedioate
CID 71348601
dimethyl 2-methyl-3-oxopentanedioate
CID 10943223
N,N-diethyl-8-methylnon-7-enamide
CID 11458780
methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate
CID 102928780
methyl 5-methylhex-4-enoate
CID 10909672
methyl 4-chloro-2-methyl-3-oxobutanoate
CID 87134668
methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate
CID 24853912
dimethyl 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]propanedioate
CID 10597387
2-methyl-3-oxodec-8-enamide
CID 172994116

Frequently Asked Questions

What is the IUPAC name of methyl 2,10-dimethyl-3-oxoundec-9-enoate?
The IUPAC name of methyl 2,10-dimethyl-3-oxoundec-9-enoate (CID 549709) is methyl 2,10-dimethyl-3-oxoundec-9-enoate.
What is the SMILES notation for methyl 2,10-dimethyl-3-oxoundec-9-enoate?
The canonical SMILES for methyl 2,10-dimethyl-3-oxoundec-9-enoate is COC(=O)C(C)C(=O)CCCCCC=C(C)C.
What is the InChIKey of methyl 2,10-dimethyl-3-oxoundec-9-enoate?
The InChIKey is LSSQZKGEEGMOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-11(2)9-7-5-6-8-10-13(15)12(3)14(16)17-4/h9,12H,5-8,10H2,1-4H3.
What are the key properties of methyl 2,10-dimethyl-3-oxoundec-9-enoate?
methyl 2,10-dimethyl-3-oxoundec-9-enoate has a molecular weight of 240.34 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,10-dimethyl-3-oxoundec-9-enoate is sourced from PubChem (CID 549709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).