2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane

C16H26O — CID 18676483

IUPAC2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane
SMILESC1=CC2CC1CC2CCCCCC1CCCO1
InChIInChI=1S/C16H26O/c1(3-6-16-7-4-10-17-16)2-5-14-11-13-8-9-15(14)12-13/h8-9,13-16H,1-7,10-12H2
InChIKeyISSIWYINHSAEFG-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.33
Rot. Bonds6

About 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane

2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane (PubChem CID 18676483) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane.

Molecular Properties

Compound Name2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane
PubChem CID18676483
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane
SMILESC1=CC2CC1CC2CCCCCC1CCCO1
InChIInChI=1S/C16H26O/c1(3-6-16-7-4-10-17-16)2-5-14-11-13-8-9-15(14)12-13/h8-9,13-16H,1-7,10-12H2
InChIKeyISSIWYINHSAEFG-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane?
The IUPAC name of 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane (CID 18676483) is 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane.
What is the SMILES notation for 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane?
The canonical SMILES for 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane is C1=CC2CC1CC2CCCCCC1CCCO1.
What is the InChIKey of 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane?
The InChIKey is ISSIWYINHSAEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1(3-6-16-7-4-10-17-16)2-5-14-11-13-8-9-15(14)12-13/h8-9,13-16H,1-7,10-12H2.
What are the key properties of 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane?
2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane has a molecular weight of 234.38 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane is sourced from PubChem (CID 18676483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).