2-icos-1-en-2-yloxyicos-1-ene

C40H78O — CID 19387431

IUPAC2-icos-1-en-2-yloxyicos-1-ene
SMILESC=C(CCCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H78O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3)41-40(4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-38H2,1-2H3
InChIKeyOIZZVOLUEMUUOM-UHFFFAOYSA-N
MW575.06 g/mol
LogP15.33
Rot. Bonds36

About 2-icos-1-en-2-yloxyicos-1-ene

2-icos-1-en-2-yloxyicos-1-ene (PubChem CID 19387431) has the molecular formula C40H78O and a molecular weight of 575.06 g/mol. Its IUPAC name is 2-icos-1-en-2-yloxyicos-1-ene.

Molecular Properties

Compound Name2-icos-1-en-2-yloxyicos-1-ene
PubChem CID19387431
Molecular FormulaC40H78O
Molecular Weight575.06 g/mol
Exact Mass574.61
IUPAC Name2-icos-1-en-2-yloxyicos-1-ene
SMILESC=C(CCCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H78O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3)41-40(4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-38H2,1-2H3
InChIKeyOIZZVOLUEMUUOM-UHFFFAOYSA-N
XLogP15.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds36
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.06
LogP ≤ 515.33
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-icos-1-en-2-yloxyicos-1-ene?
The IUPAC name of 2-icos-1-en-2-yloxyicos-1-ene (CID 19387431) is 2-icos-1-en-2-yloxyicos-1-ene.
What is the SMILES notation for 2-icos-1-en-2-yloxyicos-1-ene?
The canonical SMILES for 2-icos-1-en-2-yloxyicos-1-ene is C=C(CCCCCCCCCCCCCCCCCC)OC(=C)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-icos-1-en-2-yloxyicos-1-ene?
The InChIKey is OIZZVOLUEMUUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H78O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3)41-40(4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3-38H2,1-2H3.
What are the key properties of 2-icos-1-en-2-yloxyicos-1-ene?
2-icos-1-en-2-yloxyicos-1-ene has a molecular weight of 575.06 g/mol, XLogP of 15.33, 36 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-icos-1-en-2-yloxyicos-1-ene is sourced from PubChem (CID 19387431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).