tetratriacont-8-ene

C34H68 — CID 123670593

IUPACtetratriacont-8-ene
SMILESCCCCCCCC=CCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C34H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15,17H,3-14,16,18-34H2,1-2H3
InChIKeyPZQBYZSIKUSEIP-UHFFFAOYSA-N
MW476.92 g/mol
LogP13.29
Rot. Bonds30

About tetratriacont-8-ene

tetratriacont-8-ene (PubChem CID 123670593) has the molecular formula C34H68 and a molecular weight of 476.92 g/mol. Its IUPAC name is tetratriacont-8-ene.

Molecular Properties

Compound Nametetratriacont-8-ene
PubChem CID123670593
Molecular FormulaC34H68
Molecular Weight476.92 g/mol
Exact Mass476.53
IUPAC Nametetratriacont-8-ene
SMILESCCCCCCCC=CCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C34H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15,17H,3-14,16,18-34H2,1-2H3
InChIKeyPZQBYZSIKUSEIP-UHFFFAOYSA-N
XLogP13.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.92
LogP ≤ 513.29
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
(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
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
nonacos-7-ene
CID 71381021

Frequently Asked Questions

What is the IUPAC name of tetratriacont-8-ene?
The IUPAC name of tetratriacont-8-ene (CID 123670593) is tetratriacont-8-ene.
What is the SMILES notation for tetratriacont-8-ene?
The canonical SMILES for tetratriacont-8-ene is CCCCCCCC=CCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of tetratriacont-8-ene?
The InChIKey is PZQBYZSIKUSEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15,17H,3-14,16,18-34H2,1-2H3.
What are the key properties of tetratriacont-8-ene?
tetratriacont-8-ene has a molecular weight of 476.92 g/mol, XLogP of 13.29, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetratriacont-8-ene is sourced from PubChem (CID 123670593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).