(24Z)-hexatriaconta-9,24-diene

C36H70 — CID 173127472

IUPAC(24Z)-hexatriaconta-9,24-diene
SMILESCCCCCCCCC=CCCCCCCCCCCCCC/C=C\CCCCCCCCCCC
InChIInChI=1S/C36H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,24,26H,3-16,18,20-23,25,27-36H2,1-2H3/b19-17?,26-24-
InChIKeyOAKANZLFGMHFFX-IGFSLVKJSA-N
MW502.96 g/mol
LogP13.84
Rot. Bonds31

About (24Z)-hexatriaconta-9,24-diene

(24Z)-hexatriaconta-9,24-diene (PubChem CID 173127472) has the molecular formula C36H70 and a molecular weight of 502.96 g/mol. Its IUPAC name is (24Z)-hexatriaconta-9,24-diene.

Molecular Properties

Compound Name(24Z)-hexatriaconta-9,24-diene
PubChem CID173127472
Molecular FormulaC36H70
Molecular Weight502.96 g/mol
Exact Mass502.55
IUPAC Name(24Z)-hexatriaconta-9,24-diene
SMILESCCCCCCCCC=CCCCCCCCCCCCCC/C=C\CCCCCCCCCCC
InChIInChI=1S/C36H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,24,26H,3-16,18,20-23,25,27-36H2,1-2H3/b19-17?,26-24-
InChIKeyOAKANZLFGMHFFX-IGFSLVKJSA-N
XLogP13.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.96
LogP ≤ 513.84
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

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(Z)-heptacos-11-ene
CID 56936074
nonacos-7-ene
CID 71381021

Frequently Asked Questions

What is the IUPAC name of (24Z)-hexatriaconta-9,24-diene?
The IUPAC name of (24Z)-hexatriaconta-9,24-diene (CID 173127472) is (24Z)-hexatriaconta-9,24-diene.
What is the SMILES notation for (24Z)-hexatriaconta-9,24-diene?
The canonical SMILES for (24Z)-hexatriaconta-9,24-diene is CCCCCCCCC=CCCCCCCCCCCCCC/C=C\CCCCCCCCCCC.
What is the InChIKey of (24Z)-hexatriaconta-9,24-diene?
The InChIKey is OAKANZLFGMHFFX-IGFSLVKJSA-N. The full InChI is InChI=1S/C36H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,24,26H,3-16,18,20-23,25,27-36H2,1-2H3/b19-17?,26-24-.
What are the key properties of (24Z)-hexatriaconta-9,24-diene?
(24Z)-hexatriaconta-9,24-diene has a molecular weight of 502.96 g/mol, XLogP of 13.84, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (24Z)-hexatriaconta-9,24-diene is sourced from PubChem (CID 173127472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).