2-dotriacont-1-en-2-yloxydotriacont-1-ene

C64H126O — CID 19866042

IUPAC2-dotriacont-1-en-2-yloxydotriacont-1-ene
SMILESC=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C64H126O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63(3)65-64(4)62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-62H2,1-2H3
InChIKeyPFLBLOSCPVYMOJ-UHFFFAOYSA-N
MW911.71 g/mol
LogP24.70
Rot. Bonds60

About 2-dotriacont-1-en-2-yloxydotriacont-1-ene

2-dotriacont-1-en-2-yloxydotriacont-1-ene (PubChem CID 19866042) has the molecular formula C64H126O and a molecular weight of 911.71 g/mol. Its IUPAC name is 2-dotriacont-1-en-2-yloxydotriacont-1-ene.

Molecular Properties

Compound Name2-dotriacont-1-en-2-yloxydotriacont-1-ene
PubChem CID19866042
Molecular FormulaC64H126O
Molecular Weight911.71 g/mol
Exact Mass910.98
IUPAC Name2-dotriacont-1-en-2-yloxydotriacont-1-ene
SMILESC=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C64H126O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63(3)65-64(4)62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-62H2,1-2H3
InChIKeyPFLBLOSCPVYMOJ-UHFFFAOYSA-N
XLogP24.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds60
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.71
LogP ≤ 524.70
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-dotriacont-1-en-2-yloxydotriacont-1-ene?
The IUPAC name of 2-dotriacont-1-en-2-yloxydotriacont-1-ene (CID 19866042) is 2-dotriacont-1-en-2-yloxydotriacont-1-ene.
What is the SMILES notation for 2-dotriacont-1-en-2-yloxydotriacont-1-ene?
The canonical SMILES for 2-dotriacont-1-en-2-yloxydotriacont-1-ene is C=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-dotriacont-1-en-2-yloxydotriacont-1-ene?
The InChIKey is PFLBLOSCPVYMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H126O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63(3)65-64(4)62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-62H2,1-2H3.
What are the key properties of 2-dotriacont-1-en-2-yloxydotriacont-1-ene?
2-dotriacont-1-en-2-yloxydotriacont-1-ene has a molecular weight of 911.71 g/mol, XLogP of 24.70, 60 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dotriacont-1-en-2-yloxydotriacont-1-ene is sourced from PubChem (CID 19866042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).