(5Z)-3,5-diethylocta-2,5-diene

C12H22 — CID 123811464

IUPAC(5Z)-3,5-diethylocta-2,5-diene
SMILESCC=C(CC)C/C(=C\CC)CC
InChIInChI=1S/C12H22/c1-5-9-12(8-4)10-11(6-2)7-3/h6,9H,5,7-8,10H2,1-4H3/b11-6?,12-9-
InChIKeyVZCCGVQSLDAMJM-HJFXIJNRSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds5

About (5Z)-3,5-diethylocta-2,5-diene

(5Z)-3,5-diethylocta-2,5-diene (PubChem CID 123811464) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (5Z)-3,5-diethylocta-2,5-diene.

Molecular Properties

Compound Name(5Z)-3,5-diethylocta-2,5-diene
PubChem CID123811464
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(5Z)-3,5-diethylocta-2,5-diene
SMILESCC=C(CC)C/C(=C\CC)CC
InChIInChI=1S/C12H22/c1-5-9-12(8-4)10-11(6-2)7-3/h6,9H,5,7-8,10H2,1-4H3/b11-6?,12-9-
InChIKeyVZCCGVQSLDAMJM-HJFXIJNRSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Terpinolene
CID 11463
Myrcene
CID 31253
Squalene
CID 638072
2-Octene
CID 5364448
beta-Farnesene
CID 5281517
1-Methylcyclohexene
CID 11574
Undecene
CID 5364452
Decene
CID 5364559
Tridecene
CID 5364435
3-Methyleneheptane
CID 15404
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 11975273
Germacrene B
CID 5281519

Frequently Asked Questions

What is the IUPAC name of (5Z)-3,5-diethylocta-2,5-diene?
The IUPAC name of (5Z)-3,5-diethylocta-2,5-diene (CID 123811464) is (5Z)-3,5-diethylocta-2,5-diene.
What is the SMILES notation for (5Z)-3,5-diethylocta-2,5-diene?
The canonical SMILES for (5Z)-3,5-diethylocta-2,5-diene is CC=C(CC)C/C(=C\CC)CC.
What is the InChIKey of (5Z)-3,5-diethylocta-2,5-diene?
The InChIKey is VZCCGVQSLDAMJM-HJFXIJNRSA-N. The full InChI is InChI=1S/C12H22/c1-5-9-12(8-4)10-11(6-2)7-3/h6,9H,5,7-8,10H2,1-4H3/b11-6?,12-9-.
What are the key properties of (5Z)-3,5-diethylocta-2,5-diene?
(5Z)-3,5-diethylocta-2,5-diene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3,5-diethylocta-2,5-diene is sourced from PubChem (CID 123811464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).