6-ethenyldecyl acetate

C14H26O2 — CID 18790895

IUPAC6-ethenyldecyl acetate
SMILESC=CC(CCCC)CCCCCOC(C)=O
InChIInChI=1S/C14H26O2/c1-4-6-10-14(5-2)11-8-7-9-12-16-13(3)15/h5,14H,2,4,6-12H2,1,3H3
InChIKeyXOFYVSOSIVFWHN-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.10
Rot. Bonds10

About 6-ethenyldecyl acetate

6-ethenyldecyl acetate (PubChem CID 18790895) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 6-ethenyldecyl acetate.

Molecular Properties

Compound Name6-ethenyldecyl acetate
PubChem CID18790895
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name6-ethenyldecyl acetate
SMILESC=CC(CCCC)CCCCCOC(C)=O
InChIInChI=1S/C14H26O2/c1-4-6-10-14(5-2)11-8-7-9-12-16-13(3)15/h5,14H,2,4,6-12H2,1,3H3
InChIKeyXOFYVSOSIVFWHN-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
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

2-ethenylheptyl acetate
CID 12794026
8-chlorododecyl acetate
CID 527906
ethene;nonyl acetate
CID 170451195
5-chlorohexadecyl acetate
CID 527919
6-chlorotetradecyl acetate
CID 527961
11-chlorohexadecyl acetate
CID 527909
alumane;hexyl acetate
CID 174832794
azane;tetradecyl acetate
CID 87432458
CID 162323537
CID 162323537
10-ethenylnonadecane
CID 57244946
acetic acid;octyl acetate
CID 87556300
ethanol;hexadecyl acetate
CID 87919670

Frequently Asked Questions

What is the IUPAC name of 6-ethenyldecyl acetate?
The IUPAC name of 6-ethenyldecyl acetate (CID 18790895) is 6-ethenyldecyl acetate.
What is the SMILES notation for 6-ethenyldecyl acetate?
The canonical SMILES for 6-ethenyldecyl acetate is C=CC(CCCC)CCCCCOC(C)=O.
What is the InChIKey of 6-ethenyldecyl acetate?
The InChIKey is XOFYVSOSIVFWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-10-14(5-2)11-8-7-9-12-16-13(3)15/h5,14H,2,4,6-12H2,1,3H3.
What are the key properties of 6-ethenyldecyl acetate?
6-ethenyldecyl acetate has a molecular weight of 226.36 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyldecyl acetate is sourced from PubChem (CID 18790895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).