(3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene

C31H46 — CID 52922084

IUPAC(3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C31H46/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31H,3-4,9-10,15-16,21-22,27-28,30H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-
InChIKeyQBQCAYTWEQRERN-VHUCEKMMSA-N
MW418.71 g/mol
LogP10.32
Rot. Bonds19

About (3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene

(3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene (PubChem CID 52922084) has the molecular formula C31H46 and a molecular weight of 418.71 g/mol. Its IUPAC name is (3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene.

Molecular Properties

Compound Name(3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene
PubChem CID52922084
Molecular FormulaC31H46
Molecular Weight418.71 g/mol
Exact Mass418.36
IUPAC Name(3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C31H46/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31H,3-4,9-10,15-16,21-22,27-28,30H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-
InChIKeyQBQCAYTWEQRERN-VHUCEKMMSA-N
XLogP10.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.71
LogP ≤ 510.32
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,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene?
The IUPAC name of (3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene (CID 52922084) is (3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene.
What is the SMILES notation for (3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene?
The canonical SMILES for (3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC/C=C\C/C=C\C/C=C\C/C=C\CC.
What is the InChIKey of (3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene?
The InChIKey is QBQCAYTWEQRERN-VHUCEKMMSA-N. The full InChI is InChI=1S/C31H46/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29,31H,3-4,9-10,15-16,21-22,27-28,30H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-.
What are the key properties of (3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene?
(3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene has a molecular weight of 418.71 g/mol, XLogP of 10.32, 19 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,19Z,22Z,25Z,28Z)-hentriaconta-3,6,9,12,15,19,22,25,28-nonaene is sourced from PubChem (CID 52922084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).