1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane

C35H64O — CID 173352851

IUPAC1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane
SMILESC1=CCCCCCCC(C23CCCCCCCCCCCCCCCC2O3)CCCCCCCCC1
InChIInChI=1S/C35H64O/c1-2-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-3-1)35-32-28-24-20-16-12-8-4-7-11-15-19-23-27-31-34(35)36-35/h2,5,33-34H,1,3-4,6-32H2
InChIKeyKHUIUBRUSNJOCF-UHFFFAOYSA-N
MW500.90 g/mol
LogP12.03
Rot. Bonds1

About 1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane

1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane (PubChem CID 173352851) has the molecular formula C35H64O and a molecular weight of 500.90 g/mol. Its IUPAC name is 1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane.

Molecular Properties

Compound Name1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane
PubChem CID173352851
Molecular FormulaC35H64O
Molecular Weight500.90 g/mol
Exact Mass500.50
IUPAC Name1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane
SMILESC1=CCCCCCCC(C23CCCCCCCCCCCCCCCC2O3)CCCCCCCCC1
InChIInChI=1S/C35H64O/c1-2-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-3-1)35-32-28-24-20-16-12-8-4-7-11-15-19-23-27-31-34(35)36-35/h2,5,33-34H,1,3-4,6-32H2
InChIKeyKHUIUBRUSNJOCF-UHFFFAOYSA-N
XLogP12.03
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.90
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane?
The IUPAC name of 1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane (CID 173352851) is 1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane.
What is the SMILES notation for 1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane?
The canonical SMILES for 1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane is C1=CCCCCCCC(C23CCCCCCCCCCCCCCCC2O3)CCCCCCCCC1.
What is the InChIKey of 1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane?
The InChIKey is KHUIUBRUSNJOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H64O/c1-2-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-3-1)35-32-28-24-20-16-12-8-4-7-11-15-19-23-27-31-34(35)36-35/h2,5,33-34H,1,3-4,6-32H2.
What are the key properties of 1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane?
1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane has a molecular weight of 500.90 g/mol, XLogP of 12.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctadec-8-en-1-yl-18-oxabicyclo[15.1.0]octadecane is sourced from PubChem (CID 173352851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).