dodecanoic acid;5-methylidenenonane

C22H44O2 — CID 87640526

IUPACdodecanoic acid;5-methylidenenonane
SMILESC=C(CCCC)CCCC.CCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H24O2.C10H20/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-6-8-10(3)9-7-5-2/h2-11H2,1H3,(H,13,14);3-9H2,1-2H3
InChIKeyQKBPLEQDDPNQEV-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.91
Rot. Bonds16

About dodecanoic acid;5-methylidenenonane

dodecanoic acid;5-methylidenenonane (PubChem CID 87640526) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is dodecanoic acid;5-methylidenenonane.

Molecular Properties

Compound Namedodecanoic acid;5-methylidenenonane
PubChem CID87640526
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Namedodecanoic acid;5-methylidenenonane
SMILESC=C(CCCC)CCCC.CCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H24O2.C10H20/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-6-8-10(3)9-7-5-2/h2-11H2,1H3,(H,13,14);3-9H2,1-2H3
InChIKeyQKBPLEQDDPNQEV-UHFFFAOYSA-N
XLogP7.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dodecanoic acid;5-methylidenenonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodecanoic acid;bis(2-methylprop-1-ene)
CID 160518474
ethene;pentadecanoic acid
CID 158692309
ethene;bis(octadecanoic acid)
CID 158437449
ethene;bis(hexadecanoic acid)
CID 159407360
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
icosane;pentanoic acid
CID 159151393
decanedioic acid;nonane
CID 25154161

Frequently Asked Questions

What is the IUPAC name of dodecanoic acid;5-methylidenenonane?
The IUPAC name of dodecanoic acid;5-methylidenenonane (CID 87640526) is dodecanoic acid;5-methylidenenonane.
What is the SMILES notation for dodecanoic acid;5-methylidenenonane?
The canonical SMILES for dodecanoic acid;5-methylidenenonane is C=C(CCCC)CCCC.CCCCCCCCCCCC(=O)O.
What is the InChIKey of dodecanoic acid;5-methylidenenonane?
The InChIKey is QKBPLEQDDPNQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C10H20/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-6-8-10(3)9-7-5-2/h2-11H2,1H3,(H,13,14);3-9H2,1-2H3.
What are the key properties of dodecanoic acid;5-methylidenenonane?
dodecanoic acid;5-methylidenenonane has a molecular weight of 340.59 g/mol, XLogP of 7.91, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoic acid;5-methylidenenonane is sourced from PubChem (CID 87640526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).