ethyl 2-pent-4-enylhept-6-enoate

C14H24O2 — CID 10955220

IUPACethyl 2-pent-4-enylhept-6-enoate
SMILESC=CCCCC(CCCC=C)C(=O)OCC
InChIInChI=1S/C14H24O2/c1-4-7-9-11-13(12-10-8-5-2)14(15)16-6-3/h4-5,13H,1-2,6-12H2,3H3
InChIKeyKFAVGXPGJHCSDM-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.88
Rot. Bonds10

About ethyl 2-pent-4-enylhept-6-enoate

ethyl 2-pent-4-enylhept-6-enoate (PubChem CID 10955220) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl 2-pent-4-enylhept-6-enoate.

Molecular Properties

Compound Nameethyl 2-pent-4-enylhept-6-enoate
PubChem CID10955220
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl 2-pent-4-enylhept-6-enoate
SMILESC=CCCCC(CCCC=C)C(=O)OCC
InChIInChI=1S/C14H24O2/c1-4-7-9-11-13(12-10-8-5-2)14(15)16-6-3/h4-5,13H,1-2,6-12H2,3H3
InChIKeyKFAVGXPGJHCSDM-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-pent-4-enylhept-6-enoate?
The IUPAC name of ethyl 2-pent-4-enylhept-6-enoate (CID 10955220) is ethyl 2-pent-4-enylhept-6-enoate.
What is the SMILES notation for ethyl 2-pent-4-enylhept-6-enoate?
The canonical SMILES for ethyl 2-pent-4-enylhept-6-enoate is C=CCCCC(CCCC=C)C(=O)OCC.
What is the InChIKey of ethyl 2-pent-4-enylhept-6-enoate?
The InChIKey is KFAVGXPGJHCSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-7-9-11-13(12-10-8-5-2)14(15)16-6-3/h4-5,13H,1-2,6-12H2,3H3.
What are the key properties of ethyl 2-pent-4-enylhept-6-enoate?
ethyl 2-pent-4-enylhept-6-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pent-4-enylhept-6-enoate is sourced from PubChem (CID 10955220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).