2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate

C20H36O4 — CID 87522127

IUPAC2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate
SMILESC=CC(=O)OCC(CC)CCCC.C=CC(=O)OCCCCCC
InChIInChI=1S/C11H20O2.C9H16O2/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-5-6-7-8-11-9(10)4-2/h6,10H,3-5,7-9H2,1-2H3;4H,2-3,5-8H2,1H3
InChIKeyYKPBGGAQSZFUFM-UHFFFAOYSA-N
MW340.50 g/mol
LogP5.23
Rot. Bonds13

About 2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate

2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate (PubChem CID 87522127) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is 2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate.

Molecular Properties

Compound Name2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate
PubChem CID87522127
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate
SMILESC=CC(=O)OCC(CC)CCCC.C=CC(=O)OCCCCCC
InChIInChI=1S/C11H20O2.C9H16O2/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-5-6-7-8-11-9(10)4-2/h6,10H,3-5,7-9H2,1-2H3;4H,2-3,5-8H2,1H3
InChIKeyYKPBGGAQSZFUFM-UHFFFAOYSA-N
XLogP5.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.50
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 prop-2-enoate;heptyl prop-2-enoate
CID 19881997
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
2-ethylhexyl prop-2-enoate;hexyl 2-methylprop-2-enoate
CID 88669933
2-butyldodecyl prop-2-enoate
CID 141303705
2-octyldecyl prop-2-enoate
CID 71353023
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
decyl prop-2-enoate
CID 162172023
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
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

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate?
The IUPAC name of 2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate (CID 87522127) is 2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate.
What is the SMILES notation for 2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate?
The canonical SMILES for 2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate is C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCCCCCC.
What is the InChIKey of 2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate?
The InChIKey is YKPBGGAQSZFUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.C9H16O2/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-5-6-7-8-11-9(10)4-2/h6,10H,3-5,7-9H2,1-2H3;4H,2-3,5-8H2,1H3.
What are the key properties of 2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate?
2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate has a molecular weight of 340.50 g/mol, XLogP of 5.23, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate is sourced from PubChem (CID 87522127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).