2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane

C14H22O — CID 23555963

IUPAC2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane
SMILESC1=CC2CC1CC2CCCC1CCCO1
InChIInChI=1S/C14H22O/c1(4-14-5-2-8-15-14)3-12-9-11-6-7-13(12)10-11/h6-7,11-14H,1-5,8-10H2
InChIKeyCXEKDLOOGUGZJM-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.55
Rot. Bonds4

About 2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane

2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane (PubChem CID 23555963) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane.

Molecular Properties

Compound Name2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane
PubChem CID23555963
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane
SMILESC1=CC2CC1CC2CCCC1CCCO1
InChIInChI=1S/C14H22O/c1(4-14-5-2-8-15-14)3-12-9-11-6-7-13(12)10-11/h6-7,11-14H,1-5,8-10H2
InChIKeyCXEKDLOOGUGZJM-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane?
The IUPAC name of 2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane (CID 23555963) is 2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane.
What is the SMILES notation for 2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane?
The canonical SMILES for 2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane is C1=CC2CC1CC2CCCC1CCCO1.
What is the InChIKey of 2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane?
The InChIKey is CXEKDLOOGUGZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1(4-14-5-2-8-15-14)3-12-9-11-6-7-13(12)10-11/h6-7,11-14H,1-5,8-10H2.
What are the key properties of 2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane?
2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane has a molecular weight of 206.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]oxolane is sourced from PubChem (CID 23555963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).