tricosa-1,6-diene

C23H44 — CID 175196703

IUPACtricosa-1,6-diene
SMILESC=CCCCC=CCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H44/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13H,1,4-10,12,14-23H2,2H3
InChIKeyLKBGCQCJWAUOKL-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.77
Rot. Bonds19

About tricosa-1,6-diene

tricosa-1,6-diene (PubChem CID 175196703) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is tricosa-1,6-diene.

Molecular Properties

Compound Nametricosa-1,6-diene
PubChem CID175196703
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Nametricosa-1,6-diene
SMILESC=CCCCC=CCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H44/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13H,1,4-10,12,14-23H2,2H3
InChIKeyLKBGCQCJWAUOKL-UHFFFAOYSA-N
XLogP8.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.77
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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Related Compounds

triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
heptadeca-1,7-diene
CID 57204265
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
(18Z)-heptacosa-1,18-diene
CID 14841085
(7E)-heptadeca-1,7-diene
CID 19050683
(6E,10Z)-hexadeca-1,6,10-triene
CID 5365621
hexadec-6-ene;hex-1-ene
CID 158850904

Frequently Asked Questions

What is the IUPAC name of tricosa-1,6-diene?
The IUPAC name of tricosa-1,6-diene (CID 175196703) is tricosa-1,6-diene.
What is the SMILES notation for tricosa-1,6-diene?
The canonical SMILES for tricosa-1,6-diene is C=CCCCC=CCCCCCCCCCCCCCCCC.
What is the InChIKey of tricosa-1,6-diene?
The InChIKey is LKBGCQCJWAUOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3,11,13H,1,4-10,12,14-23H2,2H3.
What are the key properties of tricosa-1,6-diene?
tricosa-1,6-diene has a molecular weight of 320.61 g/mol, XLogP of 8.77, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricosa-1,6-diene is sourced from PubChem (CID 175196703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).