(3Z,5E)-4,5-diethyl-octa-3,5-diene

C12H22 — CID 5358324

IUPAC(3E,5Z)-4,5-diethylocta-3,5-diene
SMILESCC/C=C(\CC)/C(=C\CC)/CC
InChIInChI=1S/C12H22/c1-5-9-11(7-3)12(8-4)10-6-2/h9-10H,5-8H2,1-4H3/b11-9-,12-10+
InChIKeyKICBULPPWKMVQH-DSOJMZEYSA-N
MW166.30 g/mol
LogP5.30
Rot. Bonds5

About (3Z,5E)-4,5-diethyl-octa-3,5-diene

(3Z,5E)-4,5-diethyl-octa-3,5-diene (PubChem CID 5358324) has the molecular formula C12H22 and a molecular weight of 166.30 g/mol. Its IUPAC name is (3E,5Z)-4,5-diethylocta-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-4,5-diethyl-octa-3,5-diene
PubChem CID5358324
Molecular FormulaC12H22
Molecular Weight166.30 g/mol
Exact Mass166.17
IUPAC Name(3E,5Z)-4,5-diethylocta-3,5-diene
SMILESCC/C=C(\CC)/C(=C\CC)/CC
InChIInChI=1S/C12H22/c1-5-9-11(7-3)12(8-4)10-6-2/h9-10H,5-8H2,1-4H3/b11-9-,12-10+
InChIKeyKICBULPPWKMVQH-DSOJMZEYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity141

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500166.30
LogP ≤ 55.30
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

Terpinolene
CID 11463
Myrcene
CID 31253
trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Ocimene
CID 18756
beta-Farnesene
CID 5281517
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
1,3,5-Undecatriene
CID 61832
(3E,5E)-1,3,5-Undecatriene
CID 5367412
Germacrene B
CID 5281519

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-4,5-diethyl-octa-3,5-diene?
The IUPAC name of (3Z,5E)-4,5-diethyl-octa-3,5-diene (CID 5358324) is (3E,5Z)-4,5-diethylocta-3,5-diene.
What is the SMILES notation for (3Z,5E)-4,5-diethyl-octa-3,5-diene?
The canonical SMILES for (3Z,5E)-4,5-diethyl-octa-3,5-diene is CC/C=C(\CC)/C(=C\CC)/CC.
What is the InChIKey of (3Z,5E)-4,5-diethyl-octa-3,5-diene?
The InChIKey is KICBULPPWKMVQH-DSOJMZEYSA-N. The full InChI is InChI=1S/C12H22/c1-5-9-11(7-3)12(8-4)10-6-2/h9-10H,5-8H2,1-4H3/b11-9-,12-10+.
What are the key properties of (3Z,5E)-4,5-diethyl-octa-3,5-diene?
(3Z,5E)-4,5-diethyl-octa-3,5-diene has a molecular weight of 166.30 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-4,5-diethyl-octa-3,5-diene is sourced from PubChem (CID 5358324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).