(3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene

C14H26 — CID 5370095

IUPAC(3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene
SMILESCC/C(C)=C(CC)/C(CC)=C(\C)CC
InChIInChI=1S/C14H26/c1-7-11(5)13(9-3)14(10-4)12(6)8-2/h7-10H2,1-6H3/b13-11+,14-12+
InChIKeyDLCCOYHUFNDESN-PHEQNACWSA-N
MW194.36 g/mol
LogP5.26
Rot. Bonds5

About (3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene

(3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene (PubChem CID 5370095) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is (3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene
PubChem CID5370095
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name(3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene
SMILESCC/C(C)=C(CC)/C(CC)=C(\C)CC
InChIInChI=1S/C14H26/c1-7-11(5)13(9-3)14(10-4)12(6)8-2/h7-10H2,1-6H3/b13-11+,14-12+
InChIKeyDLCCOYHUFNDESN-PHEQNACWSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-3-Methyl-4-methylideneoct-2-ene
CID 121232770
2,3-Dimethyl-2-hexene
CID 23528
1,2,3,4-Tetramethylcyclopentadiene
CID 138163
3-Butyl-1-methylcyclopenta-1,3-diene
CID 11094679
2-Heptene, 2,3-dimethyl-
CID 137816
Cyclohexane, (1-methylethylidene)-
CID 138578
2-Octene, 2,3-dimethyl-
CID 140599
3-Ethyl-2-methyl-1,3-hexadiene
CID 5365710
Tetramethylfulvene
CID 144751
3-Ethyl-2-methyloct-2-ene
CID 85682407
4,5-Diethyl-3,5-octadiene
CID 5368963
2,3,6,7-Tetramethylocta-2,6-diene
CID 13378707

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene?
The IUPAC name of (3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene (CID 5370095) is (3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene.
What is the SMILES notation for (3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene?
The canonical SMILES for (3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene is CC/C(C)=C(CC)/C(CC)=C(\C)CC.
What is the InChIKey of (3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene?
The InChIKey is DLCCOYHUFNDESN-PHEQNACWSA-N. The full InChI is InChI=1S/C14H26/c1-7-11(5)13(9-3)14(10-4)12(6)8-2/h7-10H2,1-6H3/b13-11+,14-12+.
What are the key properties of (3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene?
(3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene has a molecular weight of 194.36 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4,5-diethyl-3,6-dimethylocta-3,5-diene is sourced from PubChem (CID 5370095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).