ethenol;hexyl prop-2-enoate;prop-2-enoic acid

C14H24O5 — CID 88838296

IUPACethenol;hexyl prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)OCCCCCC.C=CO
InChIInChI=1S/C9H16O2.C3H4O2.C2H4O/c1-3-5-6-7-8-11-9(10)4-2;1-2-3(4)5;1-2-3/h4H,2-3,5-8H2,1H3;2H,1H2,(H,4,5);2-3H,1H2
InChIKeyYFZWCNPBOABOEN-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.24
Rot. Bonds7

About ethenol;hexyl prop-2-enoate;prop-2-enoic acid

ethenol;hexyl prop-2-enoate;prop-2-enoic acid (PubChem CID 88838296) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethenol;hexyl prop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound Nameethenol;hexyl prop-2-enoate;prop-2-enoic acid
PubChem CID88838296
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nameethenol;hexyl prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)OCCCCCC.C=CO
InChIInChI=1S/C9H16O2.C3H4O2.C2H4O/c1-3-5-6-7-8-11-9(10)4-2;1-2-3(4)5;1-2-3/h4H,2-3,5-8H2,1H3;2H,1H2,(H,4,5);2-3H,1H2
InChIKeyYFZWCNPBOABOEN-UHFFFAOYSA-N
XLogP3.24
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
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
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
azane;octyl prop-2-enoate
CID 175482602
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
docosyl prop-2-enoate;methyl prop-2-enoate;prop-2-enoic acid
CID 170852340
chloroethene;octyl prop-2-enoate
CID 87386135

Frequently Asked Questions

What is the IUPAC name of ethenol;hexyl prop-2-enoate;prop-2-enoic acid?
The IUPAC name of ethenol;hexyl prop-2-enoate;prop-2-enoic acid (CID 88838296) is ethenol;hexyl prop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for ethenol;hexyl prop-2-enoate;prop-2-enoic acid?
The canonical SMILES for ethenol;hexyl prop-2-enoate;prop-2-enoic acid is C=CC(=O)O.C=CC(=O)OCCCCCC.C=CO.
What is the InChIKey of ethenol;hexyl prop-2-enoate;prop-2-enoic acid?
The InChIKey is YFZWCNPBOABOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C3H4O2.C2H4O/c1-3-5-6-7-8-11-9(10)4-2;1-2-3(4)5;1-2-3/h4H,2-3,5-8H2,1H3;2H,1H2,(H,4,5);2-3H,1H2.
What are the key properties of ethenol;hexyl prop-2-enoate;prop-2-enoic acid?
ethenol;hexyl prop-2-enoate;prop-2-enoic acid has a molecular weight of 272.34 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;hexyl prop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 88838296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).