ethene;nonyl acetate

C13H26O2 — CID 170451195

IUPACethene;nonyl acetate
SMILESC=C.CCCCCCCCCOC(C)=O
InChIInChI=1S/C11H22O2.C2H4/c1-3-4-5-6-7-8-9-10-13-11(2)12;1-2/h3-10H2,1-2H3;1-2H2
InChIKeyOOTWAUMADUWCEH-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.10
Rot. Bonds8

About ethene;nonyl acetate

ethene;nonyl acetate (PubChem CID 170451195) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is ethene;nonyl acetate.

Molecular Properties

Compound Nameethene;nonyl acetate
PubChem CID170451195
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Nameethene;nonyl acetate
SMILESC=C.CCCCCCCCCOC(C)=O
InChIInChI=1S/C11H22O2.C2H4/c1-3-4-5-6-7-8-9-10-13-11(2)12;1-2/h3-10H2,1-2H3;1-2H2
InChIKeyOOTWAUMADUWCEH-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.10
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'}

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Related Compounds

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CID 174786724

Frequently Asked Questions

What is the IUPAC name of ethene;nonyl acetate?
The IUPAC name of ethene;nonyl acetate (CID 170451195) is ethene;nonyl acetate.
What is the SMILES notation for ethene;nonyl acetate?
The canonical SMILES for ethene;nonyl acetate is C=C.CCCCCCCCCOC(C)=O.
What is the InChIKey of ethene;nonyl acetate?
The InChIKey is OOTWAUMADUWCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.C2H4/c1-3-4-5-6-7-8-9-10-13-11(2)12;1-2/h3-10H2,1-2H3;1-2H2.
What are the key properties of ethene;nonyl acetate?
ethene;nonyl acetate has a molecular weight of 214.35 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;nonyl acetate is sourced from PubChem (CID 170451195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).