[(E)-oct-2-en-2-yl] prop-2-enoate

C11H18O2 — CID 50900903

IUPAC[(E)-oct-2-en-2-yl] prop-2-enoate
SMILESC=CC(=O)O/C(C)=C/CCCCC
InChIInChI=1S/C11H18O2/c1-4-6-7-8-9-10(3)13-11(12)5-2/h5,9H,2,4,6-8H2,1,3H3/b10-9+
InChIKeyLGNPCTVYAMRDHN-MDZDMXLPSA-N
MW182.26 g/mol
LogP3.20
Rot. Bonds6

About [(E)-oct-2-en-2-yl] prop-2-enoate

[(E)-oct-2-en-2-yl] prop-2-enoate (PubChem CID 50900903) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(E)-oct-2-en-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[(E)-oct-2-en-2-yl] prop-2-enoate
PubChem CID50900903
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(E)-oct-2-en-2-yl] prop-2-enoate
SMILESC=CC(=O)O/C(C)=C/CCCCC
InChIInChI=1S/C11H18O2/c1-4-6-7-8-9-10(3)13-11(12)5-2/h5,9H,2,4,6-8H2,1,3H3/b10-9+
InChIKeyLGNPCTVYAMRDHN-MDZDMXLPSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.20
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

bis(oct-2-en-2-yl) (E)-but-2-enedioate
CID 139691536
(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene
CID 90470665
[(3E)-icosa-1,3-dien-3-yl] acetate
CID 142750410
(E)-3-ethenylnon-3-en-2-one
CID 24976667
prop-2-enoyl tetradecanoate
CID 157201572
(3E)-3-methylnona-1,3-diene
CID 13382655
hept-1-enyl prop-2-enoate
CID 91566435
(3Z)-3-methyldodeca-1,3-diene
CID 13382661
butyl 2-methylundec-2-enoate;methyl prop-2-enoate
CID 174897680
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
2-methylhept-2-enoic acid;methyl prop-2-enoate
CID 174224350
tetradec-1-enyl prop-2-enoate
CID 140580779

Frequently Asked Questions

What is the IUPAC name of [(E)-oct-2-en-2-yl] prop-2-enoate?
The IUPAC name of [(E)-oct-2-en-2-yl] prop-2-enoate (CID 50900903) is [(E)-oct-2-en-2-yl] prop-2-enoate.
What is the SMILES notation for [(E)-oct-2-en-2-yl] prop-2-enoate?
The canonical SMILES for [(E)-oct-2-en-2-yl] prop-2-enoate is C=CC(=O)O/C(C)=C/CCCCC.
What is the InChIKey of [(E)-oct-2-en-2-yl] prop-2-enoate?
The InChIKey is LGNPCTVYAMRDHN-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-6-7-8-9-10(3)13-11(12)5-2/h5,9H,2,4,6-8H2,1,3H3/b10-9+.
What are the key properties of [(E)-oct-2-en-2-yl] prop-2-enoate?
[(E)-oct-2-en-2-yl] prop-2-enoate has a molecular weight of 182.26 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oct-2-en-2-yl] prop-2-enoate is sourced from PubChem (CID 50900903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).