10-chlorodecyl (E)-2-methylbut-2-enoate

C15H27ClO2 — CID 91701895

IUPAC10-chlorodecyl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OCCCCCCCCCCCl
InChIInChI=1S/C15H27ClO2/c1-3-14(2)15(17)18-13-11-9-7-5-4-6-8-10-12-16/h3H,4-13H2,1-2H3/b14-3+
InChIKeyTUIDWTGLELZHGZ-LZWSPWQCSA-N
MW274.83 g/mol
LogP4.86
Rot. Bonds11

About 10-chlorodecyl (E)-2-methylbut-2-enoate

10-chlorodecyl (E)-2-methylbut-2-enoate (PubChem CID 91701895) has the molecular formula C15H27ClO2 and a molecular weight of 274.83 g/mol. Its IUPAC name is 10-chlorodecyl (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name10-chlorodecyl (E)-2-methylbut-2-enoate
PubChem CID91701895
Molecular FormulaC15H27ClO2
Molecular Weight274.83 g/mol
Exact Mass274.17
IUPAC Name10-chlorodecyl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OCCCCCCCCCCCl
InChIInChI=1S/C15H27ClO2/c1-3-14(2)15(17)18-13-11-9-7-5-4-6-8-10-12-16/h3H,4-13H2,1-2H3/b14-3+
InChIKeyTUIDWTGLELZHGZ-LZWSPWQCSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.83
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Chlorohexyl 2-methylprop-2-enoate
CID 15153814
Nonyl 2-methylisocrotonate
CID 5383736
Octyl 2-methylisocrotonate
CID 6432944
nonyl (E)-2-methylbut-2-enoate
CID 5991069
decyl (E)-2-methylbut-2-enoate
CID 6365865
Octyl angelate
CID 6365870
Heptyl (E)-2-methylbut-2-enoate
CID 20234532
Undecyl (E)-2-methylbut-2-enoate
CID 91701896
Decyl 2-methylisocrotonate
CID 6432941
heptyl (2Z)-2-methylbut-2-enoate
CID 88637128
Fumaric acid, 10-chlorodecyl decyl ester
CID 91692571
Fumaric acid, 10-chlorodecyl hexyl ester
CID 91692665

Frequently Asked Questions

What is the IUPAC name of 10-chlorodecyl (E)-2-methylbut-2-enoate?
The IUPAC name of 10-chlorodecyl (E)-2-methylbut-2-enoate (CID 91701895) is 10-chlorodecyl (E)-2-methylbut-2-enoate.
What is the SMILES notation for 10-chlorodecyl (E)-2-methylbut-2-enoate?
The canonical SMILES for 10-chlorodecyl (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)OCCCCCCCCCCCl.
What is the InChIKey of 10-chlorodecyl (E)-2-methylbut-2-enoate?
The InChIKey is TUIDWTGLELZHGZ-LZWSPWQCSA-N. The full InChI is InChI=1S/C15H27ClO2/c1-3-14(2)15(17)18-13-11-9-7-5-4-6-8-10-12-16/h3H,4-13H2,1-2H3/b14-3+.
What are the key properties of 10-chlorodecyl (E)-2-methylbut-2-enoate?
10-chlorodecyl (E)-2-methylbut-2-enoate has a molecular weight of 274.83 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chlorodecyl (E)-2-methylbut-2-enoate is sourced from PubChem (CID 91701895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).