hex-1-enyl prop-2-enoate

C9H14O2 — CID 54292849

IUPAChex-1-enyl prop-2-enoate
SMILESC=CC(=O)OC=CCCCC
InChIInChI=1S/C9H14O2/c1-3-5-6-7-8-11-9(10)4-2/h4,7-8H,2-3,5-6H2,1H3
InChIKeyRYSIAPJCYMGDSZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.42
Rot. Bonds5

About hex-1-enyl prop-2-enoate

hex-1-enyl prop-2-enoate (PubChem CID 54292849) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is hex-1-enyl prop-2-enoate.

Molecular Properties

Compound Namehex-1-enyl prop-2-enoate
PubChem CID54292849
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namehex-1-enyl prop-2-enoate
SMILESC=CC(=O)OC=CCCCC
InChIInChI=1S/C9H14O2/c1-3-5-6-7-8-11-9(10)4-2/h4,7-8H,2-3,5-6H2,1H3
InChIKeyRYSIAPJCYMGDSZ-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

hept-1-enyl prop-2-enoate
CID 91566435
tetradec-1-enyl prop-2-enoate
CID 140580779
4-hydroxybut-1-enyl prop-2-enoate
CID 141007650
octadec-1-enyl icos-2-enoate
CID 53437848
icos-1-enyl docos-2-enoate
CID 54494040
hex-1-enyl hexanoate
CID 54423513
[(Z)-oct-1-enyl] (E)-but-2-enoate
CID 101221127
[(Z)-dodec-7-enyl] prop-2-enoate
CID 171776211
hex-1-enyl (Z)-2-methylbut-2-enoate
CID 88637714
[(E)-hex-1-enyl] heptacosanoate
CID 102118777
4-methylpent-1-enyl prop-2-enoate
CID 141310701
[(E)-hexadec-1-enyl] acetate
CID 5376351

Frequently Asked Questions

What is the IUPAC name of hex-1-enyl prop-2-enoate?
The IUPAC name of hex-1-enyl prop-2-enoate (CID 54292849) is hex-1-enyl prop-2-enoate.
What is the SMILES notation for hex-1-enyl prop-2-enoate?
The canonical SMILES for hex-1-enyl prop-2-enoate is C=CC(=O)OC=CCCCC.
What is the InChIKey of hex-1-enyl prop-2-enoate?
The InChIKey is RYSIAPJCYMGDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-5-6-7-8-11-9(10)4-2/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of hex-1-enyl prop-2-enoate?
hex-1-enyl prop-2-enoate has a molecular weight of 154.21 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-enyl prop-2-enoate is sourced from PubChem (CID 54292849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).