pent-4-enyl prop-2-enoate

C8H12O2 — CID 640118

IUPACpent-4-enyl prop-2-enoate
SMILESC=CCCCOC(=O)C=C
InChIInChI=1S/C8H12O2/c1-3-5-6-7-10-8(9)4-2/h3-4H,1-2,5-7H2
InChIKeyCFWIYMKLKFUTBR-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.68
Rot. Bonds5

About pent-4-enyl prop-2-enoate

pent-4-enyl prop-2-enoate (PubChem CID 640118) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is pent-4-enyl prop-2-enoate.

Molecular Properties

Compound Namepent-4-enyl prop-2-enoate
PubChem CID640118
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namepent-4-enyl prop-2-enoate
SMILESC=CCCCOC(=O)C=C
InChIInChI=1S/C8H12O2/c1-3-5-6-7-10-8(9)4-2/h3-4H,1-2,5-7H2
InChIKeyCFWIYMKLKFUTBR-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.68
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pent-4-enyl prop-2-enoate?
The IUPAC name of pent-4-enyl prop-2-enoate (CID 640118) is pent-4-enyl prop-2-enoate.
What is the SMILES notation for pent-4-enyl prop-2-enoate?
The canonical SMILES for pent-4-enyl prop-2-enoate is C=CCCCOC(=O)C=C.
What is the InChIKey of pent-4-enyl prop-2-enoate?
The InChIKey is CFWIYMKLKFUTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-5-6-7-10-8(9)4-2/h3-4H,1-2,5-7H2.
What are the key properties of pent-4-enyl prop-2-enoate?
pent-4-enyl prop-2-enoate has a molecular weight of 140.18 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-enyl prop-2-enoate is sourced from PubChem (CID 640118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).