oct-1-en-3-yl prop-2-enoate

C11H18O2 — CID 11819694

IUPACoct-1-en-3-yl prop-2-enoate
SMILESC=CC(=O)OC(C=C)CCCCC
InChIInChI=1S/C11H18O2/c1-4-7-8-9-10(5-2)13-11(12)6-3/h5-6,10H,2-4,7-9H2,1H3
InChIKeyUPUOIEDJWFZQLM-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds7

About oct-1-en-3-yl prop-2-enoate

oct-1-en-3-yl prop-2-enoate (PubChem CID 11819694) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is oct-1-en-3-yl prop-2-enoate.

Molecular Properties

Compound Nameoct-1-en-3-yl prop-2-enoate
PubChem CID11819694
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameoct-1-en-3-yl prop-2-enoate
SMILESC=CC(=O)OC(C=C)CCCCC
InChIInChI=1S/C11H18O2/c1-4-7-8-9-10(5-2)13-11(12)6-3/h5-6,10H,2-4,7-9H2,1H3
InChIKeyUPUOIEDJWFZQLM-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.85
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 oct-1-en-3-yl prop-2-enoate?
The IUPAC name of oct-1-en-3-yl prop-2-enoate (CID 11819694) is oct-1-en-3-yl prop-2-enoate.
What is the SMILES notation for oct-1-en-3-yl prop-2-enoate?
The canonical SMILES for oct-1-en-3-yl prop-2-enoate is C=CC(=O)OC(C=C)CCCCC.
What is the InChIKey of oct-1-en-3-yl prop-2-enoate?
The InChIKey is UPUOIEDJWFZQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-7-8-9-10(5-2)13-11(12)6-3/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of oct-1-en-3-yl prop-2-enoate?
oct-1-en-3-yl prop-2-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-en-3-yl prop-2-enoate is sourced from PubChem (CID 11819694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).