2-ethyl-2-methyldec-8-enal

C13H24O — CID 54065132

IUPAC2-ethyl-2-methyldec-8-enal
SMILESCC=CCCCCCC(C)(C=O)CC
InChIInChI=1S/C13H24O/c1-4-6-7-8-9-10-11-13(3,5-2)12-14/h4,6,12H,5,7-11H2,1-3H3
InChIKeyMCJYZKFIJVTMMY-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.13
Rot. Bonds8

About 2-ethyl-2-methyldec-8-enal

2-ethyl-2-methyldec-8-enal (PubChem CID 54065132) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-ethyl-2-methyldec-8-enal.

Molecular Properties

Compound Name2-ethyl-2-methyldec-8-enal
PubChem CID54065132
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-ethyl-2-methyldec-8-enal
SMILESCC=CCCCCCC(C)(C=O)CC
InChIInChI=1S/C13H24O/c1-4-6-7-8-9-10-11-13(3,5-2)12-14/h4,6,12H,5,7-11H2,1-3H3
InChIKeyMCJYZKFIJVTMMY-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-methyldec-8-enal 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

2-ethyl-2,8-dimethylnonanal
CID 122553667
6-amino-2-ethyl-2-methylhexanal
CID 174609076
10,10-dimethylhenicos-2-ene
CID 123622091
2-methyldec-8-en-2-ol
CID 173164582
2-ethyl-2,6-dimethylheptanal
CID 57421645
8,8-dimethylundec-2-ene
CID 123615624
(E)-tetradec-12-enal
CID 5353009
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
(Z)-icos-2-ene
CID 5352524
(E)-4-ethyl-4-methyldec-2-ene
CID 134979777

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyldec-8-enal?
The IUPAC name of 2-ethyl-2-methyldec-8-enal (CID 54065132) is 2-ethyl-2-methyldec-8-enal.
What is the SMILES notation for 2-ethyl-2-methyldec-8-enal?
The canonical SMILES for 2-ethyl-2-methyldec-8-enal is CC=CCCCCCC(C)(C=O)CC.
What is the InChIKey of 2-ethyl-2-methyldec-8-enal?
The InChIKey is MCJYZKFIJVTMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-4-6-7-8-9-10-11-13(3,5-2)12-14/h4,6,12H,5,7-11H2,1-3H3.
What are the key properties of 2-ethyl-2-methyldec-8-enal?
2-ethyl-2-methyldec-8-enal has a molecular weight of 196.33 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyldec-8-enal is sourced from PubChem (CID 54065132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).