6-ethenyldecyl 2,2-dimethylpropanoate

C17H32O2 — CID 15851144

IUPAC6-ethenyldecyl 2,2-dimethylpropanoate
SMILESC=CC(CCCC)CCCCCOC(=O)C(C)(C)C
InChIInChI=1S/C17H32O2/c1-6-8-12-15(7-2)13-10-9-11-14-19-16(18)17(3,4)5/h7,15H,2,6,8-14H2,1,3-5H3
InChIKeyUUSHLWDRSCDHQR-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.13
Rot. Bonds10

About 6-ethenyldecyl 2,2-dimethylpropanoate

6-ethenyldecyl 2,2-dimethylpropanoate (PubChem CID 15851144) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 6-ethenyldecyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name6-ethenyldecyl 2,2-dimethylpropanoate
PubChem CID15851144
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name6-ethenyldecyl 2,2-dimethylpropanoate
SMILESC=CC(CCCC)CCCCCOC(=O)C(C)(C)C
InChIInChI=1S/C17H32O2/c1-6-8-12-15(7-2)13-10-9-11-14-19-16(18)17(3,4)5/h7,15H,2,6,8-14H2,1,3-5H3
InChIKeyUUSHLWDRSCDHQR-UHFFFAOYSA-N
XLogP5.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.13
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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Frequently Asked Questions

What is the IUPAC name of 6-ethenyldecyl 2,2-dimethylpropanoate?
The IUPAC name of 6-ethenyldecyl 2,2-dimethylpropanoate (CID 15851144) is 6-ethenyldecyl 2,2-dimethylpropanoate.
What is the SMILES notation for 6-ethenyldecyl 2,2-dimethylpropanoate?
The canonical SMILES for 6-ethenyldecyl 2,2-dimethylpropanoate is C=CC(CCCC)CCCCCOC(=O)C(C)(C)C.
What is the InChIKey of 6-ethenyldecyl 2,2-dimethylpropanoate?
The InChIKey is UUSHLWDRSCDHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-6-8-12-15(7-2)13-10-9-11-14-19-16(18)17(3,4)5/h7,15H,2,6,8-14H2,1,3-5H3.
What are the key properties of 6-ethenyldecyl 2,2-dimethylpropanoate?
6-ethenyldecyl 2,2-dimethylpropanoate has a molecular weight of 268.44 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyldecyl 2,2-dimethylpropanoate is sourced from PubChem (CID 15851144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).