(E)-tricos-9-ene

C23H46 — CID 6385060

IUPAC(E)-tricos-9-ene
SMILESCCCCCCCC/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17+
InChIKeyIGOWHGRNPLFNDJ-HTXNQAPBSA-N
MW322.62 g/mol
LogP8.99
Rot. Bonds19

About (E)-tricos-9-ene

(E)-tricos-9-ene (PubChem CID 6385060) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is (E)-tricos-9-ene.

Molecular Properties

Compound Name(E)-tricos-9-ene
PubChem CID6385060
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name(E)-tricos-9-ene
SMILESCCCCCCCC/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17+
InChIKeyIGOWHGRNPLFNDJ-HTXNQAPBSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.99
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 (E)-tricos-9-ene?
The IUPAC name of (E)-tricos-9-ene (CID 6385060) is (E)-tricos-9-ene.
What is the SMILES notation for (E)-tricos-9-ene?
The canonical SMILES for (E)-tricos-9-ene is CCCCCCCC/C=C/CCCCCCCCCCCCC.
What is the InChIKey of (E)-tricos-9-ene?
The InChIKey is IGOWHGRNPLFNDJ-HTXNQAPBSA-N. The full InChI is InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17+.
What are the key properties of (E)-tricos-9-ene?
(E)-tricos-9-ene has a molecular weight of 322.62 g/mol, XLogP of 8.99, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-tricos-9-ene is sourced from PubChem (CID 6385060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).