7-oxonon-8-enyl prop-2-enoate

C12H18O3 — CID 22894397

IUPAC7-oxonon-8-enyl prop-2-enoate
SMILESC=CC(=O)CCCCCCOC(=O)C=C
InChIInChI=1S/C12H18O3/c1-3-11(13)9-7-5-6-8-10-15-12(14)4-2/h3-4H,1-2,5-10H2
InChIKeyVUPMMCDUOAHIHJ-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.42
Rot. Bonds9

About 7-oxonon-8-enyl prop-2-enoate

7-oxonon-8-enyl prop-2-enoate (PubChem CID 22894397) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 7-oxonon-8-enyl prop-2-enoate.

Molecular Properties

Compound Name7-oxonon-8-enyl prop-2-enoate
PubChem CID22894397
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name7-oxonon-8-enyl prop-2-enoate
SMILESC=CC(=O)CCCCCCOC(=O)C=C
InChIInChI=1S/C12H18O3/c1-3-11(13)9-7-5-6-8-10-15-12(14)4-2/h3-4H,1-2,5-10H2
InChIKeyVUPMMCDUOAHIHJ-UHFFFAOYSA-N
XLogP2.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Allyl 10-undecenoate
CID 61412
10-Oxo-11-octadecen-13-olide
CID 9882599
Patulolide A
CID 6438683
Patulolide B
CID 6444101
14-Pentyl-1-oxacyclotetradec-12-ene-2,11-dione
CID 69971989
11-Ethenyl-oxacycloundecan-2-one
CID 12825591
13-Ethenyl-oxacyclotridecan-2-one
CID 12825592
Ethyl 2-methylidenenonanoate
CID 10703126
Ethyl 2-methylideneoctanoate
CID 12456491
Ethyl 2-methylidenedecanoate
CID 13191418
3-Methylidene-oxacycloundecan-2-one
CID 14815026
(12Z)-14-pentyl-1-oxacyclotetradec-12-ene-2,11-dione
CID 101244096

Frequently Asked Questions

What is the IUPAC name of 7-oxonon-8-enyl prop-2-enoate?
The IUPAC name of 7-oxonon-8-enyl prop-2-enoate (CID 22894397) is 7-oxonon-8-enyl prop-2-enoate.
What is the SMILES notation for 7-oxonon-8-enyl prop-2-enoate?
The canonical SMILES for 7-oxonon-8-enyl prop-2-enoate is C=CC(=O)CCCCCCOC(=O)C=C.
What is the InChIKey of 7-oxonon-8-enyl prop-2-enoate?
The InChIKey is VUPMMCDUOAHIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-11(13)9-7-5-6-8-10-15-12(14)4-2/h3-4H,1-2,5-10H2.
What are the key properties of 7-oxonon-8-enyl prop-2-enoate?
7-oxonon-8-enyl prop-2-enoate has a molecular weight of 210.27 g/mol, XLogP of 2.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxonon-8-enyl prop-2-enoate is sourced from PubChem (CID 22894397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).