(E)-4-ethyl-4-methyldec-2-ene

C13H26 — CID 134979777

IUPAC(E)-4-ethyl-4-methyldec-2-ene
SMILESC/C=C/C(C)(CC)CCCCCC
InChIInChI=1S/C13H26/c1-5-8-9-10-12-13(4,7-3)11-6-2/h6,11H,5,7-10,12H2,1-4H3/b11-6+
InChIKeyDEARKTFLNINRGA-IZZDOVSWSA-N
MW182.35 g/mol
LogP4.95
Rot. Bonds7

About (E)-4-ethyl-4-methyldec-2-ene

(E)-4-ethyl-4-methyldec-2-ene (PubChem CID 134979777) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is (E)-4-ethyl-4-methyldec-2-ene.

Molecular Properties

Compound Name(E)-4-ethyl-4-methyldec-2-ene
PubChem CID134979777
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name(E)-4-ethyl-4-methyldec-2-ene
SMILESC/C=C/C(C)(CC)CCCCCC
InChIInChI=1S/C13H26/c1-5-8-9-10-12-13(4,7-3)11-6-2/h6,11H,5,7-10,12H2,1-4H3/b11-6+
InChIKeyDEARKTFLNINRGA-IZZDOVSWSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-4-ethyl-4-methyldec-2-ene 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

4-ethyl-4-methylnon-2-ene
CID 123220710
4,4-dimethylnon-2-ene
CID 54495291
3,9-diethyl-N,N,9-trimethyldodec-10-en-3-amine
CID 167154849
(Z)-4-ethyl-4-methyldodec-2-en-1-amine
CID 126727185
3,3-dimethyldodecane
CID 15930786
3,3-dimethylpentadecane
CID 86034940
4-methyl-4-propylhept-2-ene
CID 123389519
3-(bromomethyl)-3-methyldodec-1-ene
CID 102642280
3-ethyl-3-methyltetradecane
CID 54159558
3,3-dimethyloctane;ethane
CID 145013248
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyldecane
CID 545661

Frequently Asked Questions

What is the IUPAC name of (E)-4-ethyl-4-methyldec-2-ene?
The IUPAC name of (E)-4-ethyl-4-methyldec-2-ene (CID 134979777) is (E)-4-ethyl-4-methyldec-2-ene.
What is the SMILES notation for (E)-4-ethyl-4-methyldec-2-ene?
The canonical SMILES for (E)-4-ethyl-4-methyldec-2-ene is C/C=C/C(C)(CC)CCCCCC.
What is the InChIKey of (E)-4-ethyl-4-methyldec-2-ene?
The InChIKey is DEARKTFLNINRGA-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H26/c1-5-8-9-10-12-13(4,7-3)11-6-2/h6,11H,5,7-10,12H2,1-4H3/b11-6+.
What are the key properties of (E)-4-ethyl-4-methyldec-2-ene?
(E)-4-ethyl-4-methyldec-2-ene has a molecular weight of 182.35 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-4-methyldec-2-ene is sourced from PubChem (CID 134979777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).