(4E)-2,3-dimethyldodeca-1,4-diene;ethane

C16H32 — CID 145000899

IUPAC(4E)-2,3-dimethyldodeca-1,4-diene;ethane
SMILESC=C(C)C(C)/C=C/CCCCCCC.CC
InChIInChI=1S/C14H26.C2H6/c1-5-6-7-8-9-10-11-12-14(4)13(2)3;1-2/h11-12,14H,2,5-10H2,1,3-4H3;1-2H3/b12-11+;
InChIKeyDSGNZTBOMFLKMH-CALJPSDSSA-N
MW224.43 g/mol
LogP6.14
Rot. Bonds8

About (4E)-2,3-dimethyldodeca-1,4-diene;ethane

(4E)-2,3-dimethyldodeca-1,4-diene;ethane (PubChem CID 145000899) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is (4E)-2,3-dimethyldodeca-1,4-diene;ethane.

Molecular Properties

Compound Name(4E)-2,3-dimethyldodeca-1,4-diene;ethane
PubChem CID145000899
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name(4E)-2,3-dimethyldodeca-1,4-diene;ethane
SMILESC=C(C)C(C)/C=C/CCCCCCC.CC
InChIInChI=1S/C14H26.C2H6/c1-5-6-7-8-9-10-11-12-14(4)13(2)3;1-2/h11-12,14H,2,5-10H2,1,3-4H3;1-2H3/b12-11+;
InChIKeyDSGNZTBOMFLKMH-CALJPSDSSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.14
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 (4E)-2,3-dimethyldodeca-1,4-diene;ethane 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

undec-3-en-2-ol
CID 174515693
(Z,2R)-non-3-en-2-ol
CID 11040800
(E,2S,3S)-3-methylundec-4-en-2-ol
CID 10465011
2-chlorodec-3-ene
CID 71337420
3-methyltetradec-4-ene
CID 123180851
(3S,4Z)-undeca-1,4-dien-3-ol
CID 129408350
(6Z,10E)-8-methylideneheptadeca-6,10-dien-9-ol
CID 10468022
(Z)-2-methyloct-3-ene;octane
CID 159051061
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
5-methylpentadec-6-ene
CID 123440014
tetrakis[(E)-hept-1-enyl]phosphanium
CID 118306753

Frequently Asked Questions

What is the IUPAC name of (4E)-2,3-dimethyldodeca-1,4-diene;ethane?
The IUPAC name of (4E)-2,3-dimethyldodeca-1,4-diene;ethane (CID 145000899) is (4E)-2,3-dimethyldodeca-1,4-diene;ethane.
What is the SMILES notation for (4E)-2,3-dimethyldodeca-1,4-diene;ethane?
The canonical SMILES for (4E)-2,3-dimethyldodeca-1,4-diene;ethane is C=C(C)C(C)/C=C/CCCCCCC.CC.
What is the InChIKey of (4E)-2,3-dimethyldodeca-1,4-diene;ethane?
The InChIKey is DSGNZTBOMFLKMH-CALJPSDSSA-N. The full InChI is InChI=1S/C14H26.C2H6/c1-5-6-7-8-9-10-11-12-14(4)13(2)3;1-2/h11-12,14H,2,5-10H2,1,3-4H3;1-2H3/b12-11+;.
What are the key properties of (4E)-2,3-dimethyldodeca-1,4-diene;ethane?
(4E)-2,3-dimethyldodeca-1,4-diene;ethane has a molecular weight of 224.43 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,3-dimethyldodeca-1,4-diene;ethane is sourced from PubChem (CID 145000899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).