penta-1,4-dien-3-yl prop-2-enoate

C8H10O2 — CID 10630557

IUPACpenta-1,4-dien-3-yl prop-2-enoate
SMILESC=CC(=O)OC(C=C)C=C
InChIInChI=1S/C8H10O2/c1-4-7(5-2)10-8(9)6-3/h4-7H,1-3H2
InChIKeyBVCPSMCWPDTVJY-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.46
Rot. Bonds4

About penta-1,4-dien-3-yl prop-2-enoate

penta-1,4-dien-3-yl prop-2-enoate (PubChem CID 10630557) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is penta-1,4-dien-3-yl prop-2-enoate.

Molecular Properties

Compound Namepenta-1,4-dien-3-yl prop-2-enoate
PubChem CID10630557
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Namepenta-1,4-dien-3-yl prop-2-enoate
SMILESC=CC(=O)OC(C=C)C=C
InChIInChI=1S/C8H10O2/c1-4-7(5-2)10-8(9)6-3/h4-7H,1-3H2
InChIKeyBVCPSMCWPDTVJY-UHFFFAOYSA-N
XLogP1.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 penta-1,4-dien-3-yl prop-2-enoate?
The IUPAC name of penta-1,4-dien-3-yl prop-2-enoate (CID 10630557) is penta-1,4-dien-3-yl prop-2-enoate.
What is the SMILES notation for penta-1,4-dien-3-yl prop-2-enoate?
The canonical SMILES for penta-1,4-dien-3-yl prop-2-enoate is C=CC(=O)OC(C=C)C=C.
What is the InChIKey of penta-1,4-dien-3-yl prop-2-enoate?
The InChIKey is BVCPSMCWPDTVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-4-7(5-2)10-8(9)6-3/h4-7H,1-3H2.
What are the key properties of penta-1,4-dien-3-yl prop-2-enoate?
penta-1,4-dien-3-yl prop-2-enoate has a molecular weight of 138.17 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for penta-1,4-dien-3-yl prop-2-enoate is sourced from PubChem (CID 10630557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).