(22Z,24Z)-hentriaconta-1,22,24-triene

C31H58 — CID 177463593

IUPAC(22Z,24Z)-hentriaconta-1,22,24-triene
SMILESC=CCCCCCCCCCCCCCCCCCCC/C=C\C=C/CCCCCC
InChIInChI=1S/C31H58/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/h3,14,16,18,20H,1,4-13,15,17,19,21-31H2,2H3/b16-14-,20-18-
InChIKeyRVFBMBKBXRPBGZ-CHPJJDCXSA-N
MW430.81 g/mol
LogP11.67
Rot. Bonds26

About (22Z,24Z)-hentriaconta-1,22,24-triene

(22Z,24Z)-hentriaconta-1,22,24-triene (PubChem CID 177463593) has the molecular formula C31H58 and a molecular weight of 430.81 g/mol. Its IUPAC name is (22Z,24Z)-hentriaconta-1,22,24-triene.

Molecular Properties

Compound Name(22Z,24Z)-hentriaconta-1,22,24-triene
PubChem CID177463593
Molecular FormulaC31H58
Molecular Weight430.81 g/mol
Exact Mass430.45
IUPAC Name(22Z,24Z)-hentriaconta-1,22,24-triene
SMILESC=CCCCCCCCCCCCCCCCCCCC/C=C\C=C/CCCCCC
InChIInChI=1S/C31H58/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/h3,14,16,18,20H,1,4-13,15,17,19,21-31H2,2H3/b16-14-,20-18-
InChIKeyRVFBMBKBXRPBGZ-CHPJJDCXSA-N
XLogP11.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.81
LogP ≤ 511.67
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

nonacosa-1,7,9,21-tetraene
CID 175853197
tetradeca-1,5,7-triene
CID 174048281
undeca-1,3-diene;undec-1-ene
CID 159743461
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentaconta-1,25-diene
CID 90941740
(7E)-heptadeca-1,7-diene
CID 19050683
pentacosa-1,16-diene
CID 57082437
heptadeca-1,7-diene
CID 57204265

Frequently Asked Questions

What is the IUPAC name of (22Z,24Z)-hentriaconta-1,22,24-triene?
The IUPAC name of (22Z,24Z)-hentriaconta-1,22,24-triene (CID 177463593) is (22Z,24Z)-hentriaconta-1,22,24-triene.
What is the SMILES notation for (22Z,24Z)-hentriaconta-1,22,24-triene?
The canonical SMILES for (22Z,24Z)-hentriaconta-1,22,24-triene is C=CCCCCCCCCCCCCCCCCCCC/C=C\C=C/CCCCCC.
What is the InChIKey of (22Z,24Z)-hentriaconta-1,22,24-triene?
The InChIKey is RVFBMBKBXRPBGZ-CHPJJDCXSA-N. The full InChI is InChI=1S/C31H58/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/h3,14,16,18,20H,1,4-13,15,17,19,21-31H2,2H3/b16-14-,20-18-.
What are the key properties of (22Z,24Z)-hentriaconta-1,22,24-triene?
(22Z,24Z)-hentriaconta-1,22,24-triene has a molecular weight of 430.81 g/mol, XLogP of 11.67, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (22Z,24Z)-hentriaconta-1,22,24-triene is sourced from PubChem (CID 177463593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).