decyl (E)-2-methylbut-2-enoate

C15H28O2 — CID 6365865

IUPACdecyl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OCCCCCCCCCC
InChIInChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-12-13-17-15(16)14(3)5-2/h5H,4,6-13H2,1-3H3/b14-5+
InChIKeyUCGAWLWEQSSTNO-LHHJGKSTSA-N
MW240.39 g/mol
LogP4.64
Rot. Bonds10

About decyl (E)-2-methylbut-2-enoate

decyl (E)-2-methylbut-2-enoate (PubChem CID 6365865) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is decyl (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Namedecyl (E)-2-methylbut-2-enoate
PubChem CID6365865
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namedecyl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OCCCCCCCCCC
InChIInChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-12-13-17-15(16)14(3)5-2/h5H,4,6-13H2,1-3H3/b14-5+
InChIKeyUCGAWLWEQSSTNO-LHHJGKSTSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Hexyl methacrylate
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Decyl methacrylate
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Hexyl crotonate
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2-Butenoic acid, 2-methyl-, pentyl ester, (2Z)-
CID 6430804
1,10-Decamethylene dimethacrylate
CID 81196
Octyl methacrylate
CID 16542
Stearyl methacrylate
CID 122600
1-Ethylhexyl tiglate
CID 6008212

Frequently Asked Questions

What is the IUPAC name of decyl (E)-2-methylbut-2-enoate?
The IUPAC name of decyl (E)-2-methylbut-2-enoate (CID 6365865) is decyl (E)-2-methylbut-2-enoate.
What is the SMILES notation for decyl (E)-2-methylbut-2-enoate?
The canonical SMILES for decyl (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)OCCCCCCCCCC.
What is the InChIKey of decyl (E)-2-methylbut-2-enoate?
The InChIKey is UCGAWLWEQSSTNO-LHHJGKSTSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-12-13-17-15(16)14(3)5-2/h5H,4,6-13H2,1-3H3/b14-5+.
What are the key properties of decyl (E)-2-methylbut-2-enoate?
decyl (E)-2-methylbut-2-enoate has a molecular weight of 240.39 g/mol, XLogP of 4.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl (E)-2-methylbut-2-enoate is sourced from PubChem (CID 6365865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).