non-1-en-4-yl prop-2-enoate

C12H20O2 — CID 23499765

IUPACnon-1-en-4-yl prop-2-enoate
SMILESC=CCC(CCCCC)OC(=O)C=C
InChIInChI=1S/C12H20O2/c1-4-7-8-10-11(9-5-2)14-12(13)6-3/h5-6,11H,2-4,7-10H2,1H3
InChIKeyDDPVOLOODCJFQW-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.24
Rot. Bonds8

About non-1-en-4-yl prop-2-enoate

non-1-en-4-yl prop-2-enoate (PubChem CID 23499765) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is non-1-en-4-yl prop-2-enoate.

Molecular Properties

Compound Namenon-1-en-4-yl prop-2-enoate
PubChem CID23499765
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namenon-1-en-4-yl prop-2-enoate
SMILESC=CCC(CCCCC)OC(=O)C=C
InChIInChI=1S/C12H20O2/c1-4-7-8-10-11(9-5-2)14-12(13)6-3/h5-6,11H,2-4,7-10H2,1H3
InChIKeyDDPVOLOODCJFQW-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.24
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 non-1-en-4-yl prop-2-enoate?
The IUPAC name of non-1-en-4-yl prop-2-enoate (CID 23499765) is non-1-en-4-yl prop-2-enoate.
What is the SMILES notation for non-1-en-4-yl prop-2-enoate?
The canonical SMILES for non-1-en-4-yl prop-2-enoate is C=CCC(CCCCC)OC(=O)C=C.
What is the InChIKey of non-1-en-4-yl prop-2-enoate?
The InChIKey is DDPVOLOODCJFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-7-8-10-11(9-5-2)14-12(13)6-3/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of non-1-en-4-yl prop-2-enoate?
non-1-en-4-yl prop-2-enoate has a molecular weight of 196.29 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-en-4-yl prop-2-enoate is sourced from PubChem (CID 23499765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).