(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene

C20H32 — CID 59965223

IUPAC(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC
InChIInChI=1S/C20H32/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h5,7,10-13,16-19H,3-4,6,8-9,14-15,20H2,1-2H3/b7-5-,12-10-,13-11-,18-16-,19-17-
InChIKeyWOGFPWCEXQXJJV-NIZUHMRFSA-N
MW272.48 g/mol
LogP6.93
Rot. Bonds12

About (3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene

(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene (PubChem CID 59965223) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene.

Molecular Properties

Compound Name(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene
PubChem CID59965223
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC
InChIInChI=1S/C20H32/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h5,7,10-13,16-19H,3-4,6,8-9,14-15,20H2,1-2H3/b7-5-,12-10-,13-11-,18-16-,19-17-
InChIKeyWOGFPWCEXQXJJV-NIZUHMRFSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.93
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'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene?
The IUPAC name of (3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene (CID 59965223) is (3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene.
What is the SMILES notation for (3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene?
The canonical SMILES for (3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC.
What is the InChIKey of (3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene?
The InChIKey is WOGFPWCEXQXJJV-NIZUHMRFSA-N. The full InChI is InChI=1S/C20H32/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h5,7,10-13,16-19H,3-4,6,8-9,14-15,20H2,1-2H3/b7-5-,12-10-,13-11-,18-16-,19-17-.
What are the key properties of (3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene?
(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene has a molecular weight of 272.48 g/mol, XLogP of 6.93, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene is sourced from PubChem (CID 59965223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).