2-triacont-1-en-2-yloxytriacont-1-ene

C60H118O — CID 18963163

IUPAC2-triacont-1-en-2-yloxytriacont-1-ene
SMILESC=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C60H118O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59(3)61-60(4)58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-58H2,1-2H3
InChIKeyRQCMOZGXXFUYCW-UHFFFAOYSA-N
MW855.60 g/mol
LogP23.14
Rot. Bonds56

About 2-triacont-1-en-2-yloxytriacont-1-ene

2-triacont-1-en-2-yloxytriacont-1-ene (PubChem CID 18963163) has the molecular formula C60H118O and a molecular weight of 855.60 g/mol. Its IUPAC name is 2-triacont-1-en-2-yloxytriacont-1-ene.

Molecular Properties

Compound Name2-triacont-1-en-2-yloxytriacont-1-ene
PubChem CID18963163
Molecular FormulaC60H118O
Molecular Weight855.60 g/mol
Exact Mass854.92
IUPAC Name2-triacont-1-en-2-yloxytriacont-1-ene
SMILESC=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C60H118O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59(3)61-60(4)58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-58H2,1-2H3
InChIKeyRQCMOZGXXFUYCW-UHFFFAOYSA-N
XLogP23.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds56
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.60
LogP ≤ 523.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-triacont-1-en-2-yloxytriacont-1-ene?
The IUPAC name of 2-triacont-1-en-2-yloxytriacont-1-ene (CID 18963163) is 2-triacont-1-en-2-yloxytriacont-1-ene.
What is the SMILES notation for 2-triacont-1-en-2-yloxytriacont-1-ene?
The canonical SMILES for 2-triacont-1-en-2-yloxytriacont-1-ene is C=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-triacont-1-en-2-yloxytriacont-1-ene?
The InChIKey is RQCMOZGXXFUYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H118O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59(3)61-60(4)58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-58H2,1-2H3.
What are the key properties of 2-triacont-1-en-2-yloxytriacont-1-ene?
2-triacont-1-en-2-yloxytriacont-1-ene has a molecular weight of 855.60 g/mol, XLogP of 23.14, 56 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triacont-1-en-2-yloxytriacont-1-ene is sourced from PubChem (CID 18963163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).