2-methylnon-2-enyl propanoate

C13H24O2 — CID 5066536

IUPAC2-methylnon-2-enyl propanoate
SMILESCCCCCCC=C(C)COC(=O)CC
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-10-12(3)11-15-13(14)5-2/h10H,4-9,11H2,1-3H3
InChIKeyWERYNZAGVCKEMT-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.86
Rot. Bonds8

About 2-methylnon-2-enyl propanoate

2-methylnon-2-enyl propanoate (PubChem CID 5066536) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methylnon-2-enyl propanoate.

Molecular Properties

Compound Name2-methylnon-2-enyl propanoate
PubChem CID5066536
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methylnon-2-enyl propanoate
SMILESCCCCCCC=C(C)COC(=O)CC
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-10-12(3)11-15-13(14)5-2/h10H,4-9,11H2,1-3H3
InChIKeyWERYNZAGVCKEMT-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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

2-methyldec-2-enyl acetate
CID 123999734
[(2E,7E)-3,7-dimethyloctadeca-2,7-dienyl] propanoate
CID 87130548
[(E)-2-methylhept-2-enyl] 4-oxopentanoate
CID 58988327
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714
3-methyloctadec-3-ene
CID 91073568
methyl (E)-3-methylnon-3-enoate
CID 121218626
(E)-3-methylnon-3-ene
CID 5364647
[(E)-2-ethylnon-2-enyl] acetate
CID 88547353
[(E)-dec-3-enyl] propanoate
CID 45142124
[(Z)-dec-3-enyl] propanoate
CID 129170896

Frequently Asked Questions

What is the IUPAC name of 2-methylnon-2-enyl propanoate?
The IUPAC name of 2-methylnon-2-enyl propanoate (CID 5066536) is 2-methylnon-2-enyl propanoate.
What is the SMILES notation for 2-methylnon-2-enyl propanoate?
The canonical SMILES for 2-methylnon-2-enyl propanoate is CCCCCCC=C(C)COC(=O)CC.
What is the InChIKey of 2-methylnon-2-enyl propanoate?
The InChIKey is WERYNZAGVCKEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-6-7-8-9-10-12(3)11-15-13(14)5-2/h10H,4-9,11H2,1-3H3.
What are the key properties of 2-methylnon-2-enyl propanoate?
2-methylnon-2-enyl propanoate has a molecular weight of 212.33 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnon-2-enyl propanoate is sourced from PubChem (CID 5066536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).