methyl (2R,4R)-2,4-dimethyldec-9-enoate

C13H24O2 — CID 22214889

IUPACmethyl (2R,4R)-2,4-dimethyldec-9-enoate
SMILESC=CCCCC[C@@H](C)C[C@@H](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/t11-,12-/m1/s1
InChIKeyKZGVYFZGXMRBKJ-VXGBXAGGSA-N
MW212.33 g/mol
LogP3.57
Rot. Bonds8

About methyl (2R,4R)-2,4-dimethyldec-9-enoate

methyl (2R,4R)-2,4-dimethyldec-9-enoate (PubChem CID 22214889) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is methyl (2R,4R)-2,4-dimethyldec-9-enoate.

Molecular Properties

Compound Namemethyl (2R,4R)-2,4-dimethyldec-9-enoate
PubChem CID22214889
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namemethyl (2R,4R)-2,4-dimethyldec-9-enoate
SMILESC=CCCCC[C@@H](C)C[C@@H](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/t11-,12-/m1/s1
InChIKeyKZGVYFZGXMRBKJ-VXGBXAGGSA-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 (2R,4R)-2,4-dimethyldec-9-enoate?
The IUPAC name of methyl (2R,4R)-2,4-dimethyldec-9-enoate (CID 22214889) is methyl (2R,4R)-2,4-dimethyldec-9-enoate.
What is the SMILES notation for methyl (2R,4R)-2,4-dimethyldec-9-enoate?
The canonical SMILES for methyl (2R,4R)-2,4-dimethyldec-9-enoate is C=CCCCC[C@@H](C)C[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2R,4R)-2,4-dimethyldec-9-enoate?
The InChIKey is KZGVYFZGXMRBKJ-VXGBXAGGSA-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/t11-,12-/m1/s1.
What are the key properties of methyl (2R,4R)-2,4-dimethyldec-9-enoate?
methyl (2R,4R)-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 (2R,4R)-2,4-dimethyldec-9-enoate is sourced from PubChem (CID 22214889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).