8-methylnonyl prop-2-enoate

C13H24O2 — CID 14899

IUPAC8-methylnonyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCC(C)C
InChIInChI=1S/C13H24O2/c1-4-13(14)15-11-9-7-5-6-8-10-12(2)3/h4,12H,1,5-11H2,2-3H3
InChIKeyLVGFPWDANALGOY-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.71
Rot. Bonds9

About 8-methylnonyl prop-2-enoate

8-methylnonyl prop-2-enoate (PubChem CID 14899) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 8-methylnonyl prop-2-enoate.

Molecular Properties

Compound Name8-methylnonyl prop-2-enoate
PubChem CID14899
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name8-methylnonyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCC(C)C
InChIInChI=1S/C13H24O2/c1-4-13(14)15-11-9-7-5-6-8-10-12(2)3/h4,12H,1,5-11H2,2-3H3
InChIKeyLVGFPWDANALGOY-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

2-Ethylhexyl acrylate
CID 7636
Isodecyl methacrylate
CID 34763
Isooctyl acrylate
CID 165746
Decyl acrylate
CID 16541
Tridecyl acrylate
CID 18316
Octyl acrylate
CID 17258
Heptyl acrylate
CID 17257
Lauryl acrylate
CID 75084
Diisostearyl Fumarate
CID 22251403
Stearyl acrylate
CID 62552
Nonyl acrylate
CID 75873
2-Propenoic acid, hexadecyl ester
CID 83410

Frequently Asked Questions

What is the IUPAC name of 8-methylnonyl prop-2-enoate?
The IUPAC name of 8-methylnonyl prop-2-enoate (CID 14899) is 8-methylnonyl prop-2-enoate.
What is the SMILES notation for 8-methylnonyl prop-2-enoate?
The canonical SMILES for 8-methylnonyl prop-2-enoate is C=CC(=O)OCCCCCCCC(C)C.
What is the InChIKey of 8-methylnonyl prop-2-enoate?
The InChIKey is LVGFPWDANALGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-13(14)15-11-9-7-5-6-8-10-12(2)3/h4,12H,1,5-11H2,2-3H3.
What are the key properties of 8-methylnonyl prop-2-enoate?
8-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 8-methylnonyl prop-2-enoate is sourced from PubChem (CID 14899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).