methyl 2-ethenyldodecanoate

C15H28O2 — CID 12739559

IUPACmethyl 2-ethenyldodecanoate
SMILESC=CC(CCCCCCCCCC)C(=O)OC
InChIInChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-12-13-14(5-2)15(16)17-3/h5,14H,2,4,6-13H2,1,3H3
InChIKeyYBFNCHHYFDIGTC-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.49
Rot. Bonds11

About methyl 2-ethenyldodecanoate

methyl 2-ethenyldodecanoate (PubChem CID 12739559) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is methyl 2-ethenyldodecanoate.

Molecular Properties

Compound Namemethyl 2-ethenyldodecanoate
PubChem CID12739559
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namemethyl 2-ethenyldodecanoate
SMILESC=CC(CCCCCCCCCC)C(=O)OC
InChIInChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-12-13-14(5-2)15(16)17-3/h5,14H,2,4,6-13H2,1,3H3
InChIKeyYBFNCHHYFDIGTC-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.49
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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Related Compounds

Methyl 10-undecenoate
CID 8138
Methyl 9-decenoate
CID 1778877
Isobutyl 10-undecenoate
CID 79457
Isodecyl Oleate
CID 6436737
Methyl 8-nonenoate
CID 554043
2-(Prop-2-en-1-yl)heptanoicacid
CID 13010746
9-Octadecenoic acid (9Z)-, isooctyl ester
CID 117863
2-Amyl 3-butenoic acid
CID 5282666
Methyl (E)-14-methylhexadec-8-enoate
CID 6436648
Methyl (Z)-14-methylhexadec-8-enoate
CID 20838712
Methyl tridec-12-enoate
CID 292982
Methyl dodec-11-enoate
CID 543920

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyldodecanoate?
The IUPAC name of methyl 2-ethenyldodecanoate (CID 12739559) is methyl 2-ethenyldodecanoate.
What is the SMILES notation for methyl 2-ethenyldodecanoate?
The canonical SMILES for methyl 2-ethenyldodecanoate is C=CC(CCCCCCCCCC)C(=O)OC.
What is the InChIKey of methyl 2-ethenyldodecanoate?
The InChIKey is YBFNCHHYFDIGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-12-13-14(5-2)15(16)17-3/h5,14H,2,4,6-13H2,1,3H3.
What are the key properties of methyl 2-ethenyldodecanoate?
methyl 2-ethenyldodecanoate has a molecular weight of 240.39 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyldodecanoate is sourced from PubChem (CID 12739559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).