ethyl 2-methylideneundecanoate

C14H26O2 — CID 10561236

IUPACethyl 2-methylideneundecanoate
SMILESC=C(CCCCCCCCC)C(=O)OCC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-12-13(3)14(15)16-5-2/h3-12H2,1-2H3
InChIKeyOKDDQRSNBMUOBK-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.25
Rot. Bonds10

About ethyl 2-methylideneundecanoate

ethyl 2-methylideneundecanoate (PubChem CID 10561236) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethyl 2-methylideneundecanoate.

Molecular Properties

Compound Nameethyl 2-methylideneundecanoate
PubChem CID10561236
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nameethyl 2-methylideneundecanoate
SMILESC=C(CCCCCCCCC)C(=O)OCC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-12-13(3)14(15)16-5-2/h3-12H2,1-2H3
InChIKeyOKDDQRSNBMUOBK-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.25
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

Allyl 10-undecenoate
CID 61412
Decyl methacrylate
CID 18510
Octyl methacrylate
CID 16542
2-Propenoic acid, 2-methyl-, nonyl ester
CID 98534
Undecyl methacrylate
CID 85455
5-Butyl-3-methylideneoxolan-2-one
CID 10820778
Ethyl2-cyclopentylprop-2-enoate
CID 12924368
3-Methylidene-5-tridecyloxolan-2-one
CID 118708706
2(3H)-Furanone, dihydro-3-methylene-5-pentyl-
CID 10583238
3-Methylidene-5-undecyloxolan-2-one
CID 44265392
Hexanoic acid, 2-methylene-, ethyl ester
CID 3014221
Methyl 2-methylidenehexanoate
CID 330536

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylideneundecanoate?
The IUPAC name of ethyl 2-methylideneundecanoate (CID 10561236) is ethyl 2-methylideneundecanoate.
What is the SMILES notation for ethyl 2-methylideneundecanoate?
The canonical SMILES for ethyl 2-methylideneundecanoate is C=C(CCCCCCCCC)C(=O)OCC.
What is the InChIKey of ethyl 2-methylideneundecanoate?
The InChIKey is OKDDQRSNBMUOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-12-13(3)14(15)16-5-2/h3-12H2,1-2H3.
What are the key properties of ethyl 2-methylideneundecanoate?
ethyl 2-methylideneundecanoate has a molecular weight of 226.36 g/mol, XLogP of 4.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylideneundecanoate is sourced from PubChem (CID 10561236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).