undec-10-enyl (E)-2-methylbut-2-enoate

C16H28O2 — CID 91701288

IUPACundec-10-enyl (E)-2-methylbut-2-enoate
SMILESC=CCCCCCCCCCOC(=O)/C(C)=C/C
InChIInChI=1S/C16H28O2/c1-4-6-7-8-9-10-11-12-13-14-18-16(17)15(3)5-2/h4-5H,1,6-14H2,2-3H3/b15-5+
InChIKeyMOUINFSGEIISDD-PJQLUOCWSA-N
MW252.40 g/mol
LogP4.80
Rot. Bonds11

About undec-10-enyl (E)-2-methylbut-2-enoate

undec-10-enyl (E)-2-methylbut-2-enoate (PubChem CID 91701288) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is undec-10-enyl (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Nameundec-10-enyl (E)-2-methylbut-2-enoate
PubChem CID91701288
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Nameundec-10-enyl (E)-2-methylbut-2-enoate
SMILESC=CCCCCCCCCCOC(=O)/C(C)=C/C
InChIInChI=1S/C16H28O2/c1-4-6-7-8-9-10-11-12-13-14-18-16(17)15(3)5-2/h4-5H,1,6-14H2,2-3H3/b15-5+
InChIKeyMOUINFSGEIISDD-PJQLUOCWSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.80
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

pentadec-14-enyl acetate
CID 87443745
nonadec-18-enyl acetate
CID 87443633
undecyl (E)-2-methylbut-2-enoate
CID 91701896
hex-5-enyl acetate
CID 537536
[(E)-non-5-enyl] (E)-2-methylbut-2-enoate
CID 102116658
[(E)-oct-5-enyl] (E)-2-methylbut-2-enoate
CID 102116652
(Z)-4-hex-5-enoxy-2,3-dimethyl-4-oxobut-2-enoic acid
CID 175563353
undec-10-enyl 2-bromo-2-methylpropanoate
CID 23113089
bis(dec-9-enyl) (Z)-but-2-enedioate
CID 86753272
2-methylprop-2-enoic acid;octadecyl 2-methylbut-2-enoate
CID 173433253
oct-7-enyl 2-methylpropanoate
CID 87633860
hexadec-15-enyl carbonochloridate
CID 139984771

Frequently Asked Questions

What is the IUPAC name of undec-10-enyl (E)-2-methylbut-2-enoate?
The IUPAC name of undec-10-enyl (E)-2-methylbut-2-enoate (CID 91701288) is undec-10-enyl (E)-2-methylbut-2-enoate.
What is the SMILES notation for undec-10-enyl (E)-2-methylbut-2-enoate?
The canonical SMILES for undec-10-enyl (E)-2-methylbut-2-enoate is C=CCCCCCCCCCOC(=O)/C(C)=C/C.
What is the InChIKey of undec-10-enyl (E)-2-methylbut-2-enoate?
The InChIKey is MOUINFSGEIISDD-PJQLUOCWSA-N. The full InChI is InChI=1S/C16H28O2/c1-4-6-7-8-9-10-11-12-13-14-18-16(17)15(3)5-2/h4-5H,1,6-14H2,2-3H3/b15-5+.
What are the key properties of undec-10-enyl (E)-2-methylbut-2-enoate?
undec-10-enyl (E)-2-methylbut-2-enoate has a molecular weight of 252.40 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl (E)-2-methylbut-2-enoate is sourced from PubChem (CID 91701288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).