methyl 2,4-dimethyldec-9-enoate

C13H24O2 — CID 560343

IUPACmethyl 2,4-dimethyldec-9-enoate
SMILESC=CCCCCC(C)CC(C)C(=O)OC
InChIInChI=1S/C13H24O2/c1-5-6-7-8-9-11(2)10-12(3)13(14)15-4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyKZGVYFZGXMRBKJ-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.57
Rot. Bonds8

About methyl 2,4-dimethyldec-9-enoate

methyl 2,4-dimethyldec-9-enoate (PubChem CID 560343) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is methyl 2,4-dimethyldec-9-enoate.

Molecular Properties

Compound Namemethyl 2,4-dimethyldec-9-enoate
PubChem CID560343
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namemethyl 2,4-dimethyldec-9-enoate
SMILESC=CCCCCC(C)CC(C)C(=O)OC
InChIInChI=1S/C13H24O2/c1-5-6-7-8-9-11(2)10-12(3)13(14)15-4/h5,11-12H,1,6-10H2,2-4H3
InChIKeyKZGVYFZGXMRBKJ-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyldec-9-enoate?
The IUPAC name of methyl 2,4-dimethyldec-9-enoate (CID 560343) is methyl 2,4-dimethyldec-9-enoate.
What is the SMILES notation for methyl 2,4-dimethyldec-9-enoate?
The canonical SMILES for methyl 2,4-dimethyldec-9-enoate is C=CCCCCC(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 2,4-dimethyldec-9-enoate?
The InChIKey is KZGVYFZGXMRBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-6-7-8-9-11(2)10-12(3)13(14)15-4/h5,11-12H,1,6-10H2,2-4H3.
What are the key properties of methyl 2,4-dimethyldec-9-enoate?
methyl 2,4-dimethyldec-9-enoate has a molecular weight of 212.33 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyldec-9-enoate is sourced from PubChem (CID 560343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).