undec-1-enyl 2-methylprop-2-enoate

C15H26O2 — CID 54020671

IUPACundec-1-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=CCCCCCCCCC
InChIInChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-13-17-15(16)14(2)3/h12-13H,2,4-11H2,1,3H3
InChIKeyKYRXIBAPZPPDGD-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.76
Rot. Bonds10

About undec-1-enyl 2-methylprop-2-enoate

undec-1-enyl 2-methylprop-2-enoate (PubChem CID 54020671) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is undec-1-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameundec-1-enyl 2-methylprop-2-enoate
PubChem CID54020671
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameundec-1-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=CCCCCCCCCC
InChIInChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-13-17-15(16)14(2)3/h12-13H,2,4-11H2,1,3H3
InChIKeyKYRXIBAPZPPDGD-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cis-Hexenyl tiglate
CID 129848383
Hexenyl tiglate
CID 17857471
Undecenyl acrylate
CID 53873894
Hex-1-enyl 2-methylbut-2-enoate
CID 54437826
Decenyl isobutyrate
CID 86042241
Hex-1-ene;methyl 2-methylprop-2-enoate
CID 87472882
(3e)-Dodecenyl crotonate
CID 129866652
Dec-9-enyl 2-methylprop-2-enoate
CID 15311045
2,3-Undecadienoic acid, 2-methyl-, ethyl ester
CID 11687237
Methyl 2-methyltrideca-2,3,12-trienoate
CID 10728529
Ethyl 2-methyldeca-2,3-dienoate
CID 25067716
Ethyl trideca-2,3,12-trienoate
CID 101507520

Frequently Asked Questions

What is the IUPAC name of undec-1-enyl 2-methylprop-2-enoate?
The IUPAC name of undec-1-enyl 2-methylprop-2-enoate (CID 54020671) is undec-1-enyl 2-methylprop-2-enoate.
What is the SMILES notation for undec-1-enyl 2-methylprop-2-enoate?
The canonical SMILES for undec-1-enyl 2-methylprop-2-enoate is C=C(C)C(=O)OC=CCCCCCCCCC.
What is the InChIKey of undec-1-enyl 2-methylprop-2-enoate?
The InChIKey is KYRXIBAPZPPDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-13-17-15(16)14(2)3/h12-13H,2,4-11H2,1,3H3.
What are the key properties of undec-1-enyl 2-methylprop-2-enoate?
undec-1-enyl 2-methylprop-2-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.76, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-1-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 54020671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).