6-methylnonyl prop-2-enoate

C13H24O2 — CID 21298968

IUPAC6-methylnonyl prop-2-enoate
SMILESC=CC(=O)OCCCCCC(C)CCC
InChIInChI=1S/C13H24O2/c1-4-9-12(3)10-7-6-8-11-15-13(14)5-2/h5,12H,2,4,6-11H2,1,3H3
InChIKeyUUISJLQLIDMMPD-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.71
Rot. Bonds9

About 6-methylnonyl prop-2-enoate

6-methylnonyl prop-2-enoate (PubChem CID 21298968) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 6-methylnonyl prop-2-enoate.

Molecular Properties

Compound Name6-methylnonyl prop-2-enoate
PubChem CID21298968
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name6-methylnonyl prop-2-enoate
SMILESC=CC(=O)OCCCCCC(C)CCC
InChIInChI=1S/C13H24O2/c1-4-9-12(3)10-7-6-8-11-15-13(14)5-2/h5,12H,2,4,6-11H2,1,3H3
InChIKeyUUISJLQLIDMMPD-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-methyltetradecyl prop-2-enoate
CID 87169125
7-methyltridecyl prop-2-enoate
CID 139834261
4-methylhexyl prop-2-enoate
CID 58980362
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate
CID 175298158
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559

Frequently Asked Questions

What is the IUPAC name of 6-methylnonyl prop-2-enoate?
The IUPAC name of 6-methylnonyl prop-2-enoate (CID 21298968) is 6-methylnonyl prop-2-enoate.
What is the SMILES notation for 6-methylnonyl prop-2-enoate?
The canonical SMILES for 6-methylnonyl prop-2-enoate is C=CC(=O)OCCCCCC(C)CCC.
What is the InChIKey of 6-methylnonyl prop-2-enoate?
The InChIKey is UUISJLQLIDMMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-9-12(3)10-7-6-8-11-15-13(14)5-2/h5,12H,2,4,6-11H2,1,3H3.
What are the key properties of 6-methylnonyl prop-2-enoate?
6-methylnonyl prop-2-enoate has a molecular weight of 212.33 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylnonyl prop-2-enoate is sourced from PubChem (CID 21298968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).