methyl 2-methylidenedecanoate

C12H22O2 — CID 12555036

IUPACmethyl 2-methylidenedecanoate
SMILESC=C(CCCCCCCC)C(=O)OC
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-11(2)12(13)14-3/h2,4-10H2,1,3H3
InChIKeyLELQLZSEBGMRDK-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.47
Rot. Bonds8

About methyl 2-methylidenedecanoate

methyl 2-methylidenedecanoate (PubChem CID 12555036) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is methyl 2-methylidenedecanoate.

Molecular Properties

Compound Namemethyl 2-methylidenedecanoate
PubChem CID12555036
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namemethyl 2-methylidenedecanoate
SMILESC=C(CCCCCCCC)C(=O)OC
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-11(2)12(13)14-3/h2,4-10H2,1,3H3
InChIKeyLELQLZSEBGMRDK-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.47
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidenedecanoate?
The IUPAC name of methyl 2-methylidenedecanoate (CID 12555036) is methyl 2-methylidenedecanoate.
What is the SMILES notation for methyl 2-methylidenedecanoate?
The canonical SMILES for methyl 2-methylidenedecanoate is C=C(CCCCCCCC)C(=O)OC.
What is the InChIKey of methyl 2-methylidenedecanoate?
The InChIKey is LELQLZSEBGMRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-11(2)12(13)14-3/h2,4-10H2,1,3H3.
What are the key properties of methyl 2-methylidenedecanoate?
methyl 2-methylidenedecanoate has a molecular weight of 198.31 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidenedecanoate is sourced from PubChem (CID 12555036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).