2-tricos-1-en-2-yloxytricos-1-ene

C46H90O — CID 19992653

IUPAC2-tricos-1-en-2-yloxytricos-1-ene
SMILESC=C(CCCCCCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H90O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45(3)47-46(4)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-44H2,1-2H3
InChIKeyUZTAYULCHDSCTN-UHFFFAOYSA-N
MW659.23 g/mol
LogP17.67
Rot. Bonds42

About 2-tricos-1-en-2-yloxytricos-1-ene

2-tricos-1-en-2-yloxytricos-1-ene (PubChem CID 19992653) has the molecular formula C46H90O and a molecular weight of 659.23 g/mol. Its IUPAC name is 2-tricos-1-en-2-yloxytricos-1-ene.

Molecular Properties

Compound Name2-tricos-1-en-2-yloxytricos-1-ene
PubChem CID19992653
Molecular FormulaC46H90O
Molecular Weight659.23 g/mol
Exact Mass658.70
IUPAC Name2-tricos-1-en-2-yloxytricos-1-ene
SMILESC=C(CCCCCCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H90O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45(3)47-46(4)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-44H2,1-2H3
InChIKeyUZTAYULCHDSCTN-UHFFFAOYSA-N
XLogP17.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds42
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.23
LogP ≤ 517.67
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-tricos-1-en-2-yloxytricos-1-ene?
The IUPAC name of 2-tricos-1-en-2-yloxytricos-1-ene (CID 19992653) is 2-tricos-1-en-2-yloxytricos-1-ene.
What is the SMILES notation for 2-tricos-1-en-2-yloxytricos-1-ene?
The canonical SMILES for 2-tricos-1-en-2-yloxytricos-1-ene is C=C(CCCCCCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-tricos-1-en-2-yloxytricos-1-ene?
The InChIKey is UZTAYULCHDSCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H90O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45(3)47-46(4)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-44H2,1-2H3.
What are the key properties of 2-tricos-1-en-2-yloxytricos-1-ene?
2-tricos-1-en-2-yloxytricos-1-ene has a molecular weight of 659.23 g/mol, XLogP of 17.67, 42 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tricos-1-en-2-yloxytricos-1-ene is sourced from PubChem (CID 19992653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).