3-ethyl-2-methylideneundecanoic acid

C14H26O2 — CID 87290389

IUPAC3-ethyl-2-methylideneundecanoic acid
SMILESC=C(C(=O)O)C(CC)CCCCCCCC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-13(5-2)12(3)14(15)16/h13H,3-11H2,1-2H3,(H,15,16)
InChIKeyBALXQDCNOJKYCU-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.40
Rot. Bonds10

About 3-ethyl-2-methylideneundecanoic acid

3-ethyl-2-methylideneundecanoic acid (PubChem CID 87290389) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-ethyl-2-methylideneundecanoic acid.

Molecular Properties

Compound Name3-ethyl-2-methylideneundecanoic acid
PubChem CID87290389
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3-ethyl-2-methylideneundecanoic acid
SMILESC=C(C(=O)O)C(CC)CCCCCCCC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-13(5-2)12(3)14(15)16/h13H,3-11H2,1-2H3,(H,15,16)
InChIKeyBALXQDCNOJKYCU-UHFFFAOYSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

3-dodecyl-2-methylidenepentacosanoic acid
CID 87864826
2-methylidene-3-pentyloctanoic acid
CID 87510029
2-methylidene-3-propylnonadecanoic acid
CID 174308550
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
7,10-diethylhexadecane-8,9-dione
CID 150805323
3-ethyl-2-methylideneoctanoic acid;2-methylpropyl prop-2-enoate
CID 87900158
2-ethylhexanoic acid;hexadecane
CID 174408772
3-ethyl-2-methyldodec-1-ene
CID 174845873
(4S)-4-ethyldecan-3-one
CID 134895926
2-dodecyloctacosanoic acid
CID 90897371
2-hexylnonanoic acid
CID 18521424

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylideneundecanoic acid?
The IUPAC name of 3-ethyl-2-methylideneundecanoic acid (CID 87290389) is 3-ethyl-2-methylideneundecanoic acid.
What is the SMILES notation for 3-ethyl-2-methylideneundecanoic acid?
The canonical SMILES for 3-ethyl-2-methylideneundecanoic acid is C=C(C(=O)O)C(CC)CCCCCCCC.
What is the InChIKey of 3-ethyl-2-methylideneundecanoic acid?
The InChIKey is BALXQDCNOJKYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-13(5-2)12(3)14(15)16/h13H,3-11H2,1-2H3,(H,15,16).
What are the key properties of 3-ethyl-2-methylideneundecanoic acid?
3-ethyl-2-methylideneundecanoic acid has a molecular weight of 226.36 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylideneundecanoic acid is sourced from PubChem (CID 87290389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).