5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one

C15H22O2 — CID 172797523

IUPAC5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one
SMILESO=C1C2C=CC1C(OC1CCCCCCC1)C2
InChIInChI=1S/C15H22O2/c16-15-11-8-9-13(15)14(10-11)17-12-6-4-2-1-3-5-7-12/h8-9,11-14H,1-7,10H2
InChIKeyQKIUSNUNKNETHC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.26
Rot. Bonds2

About 5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one

5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one (PubChem CID 172797523) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one.

Molecular Properties

Compound Name5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one
PubChem CID172797523
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one
SMILESO=C1C2C=CC1C(OC1CCCCCCC1)C2
InChIInChI=1S/C15H22O2/c16-15-11-8-9-13(15)14(10-11)17-12-6-4-2-1-3-5-7-12/h8-9,11-14H,1-7,10H2
InChIKeyQKIUSNUNKNETHC-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one?
The IUPAC name of 5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one (CID 172797523) is 5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one.
What is the SMILES notation for 5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one?
The canonical SMILES for 5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one is O=C1C2C=CC1C(OC1CCCCCCC1)C2.
What is the InChIKey of 5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one?
The InChIKey is QKIUSNUNKNETHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c16-15-11-8-9-13(15)14(10-11)17-12-6-4-2-1-3-5-7-12/h8-9,11-14H,1-7,10H2.
What are the key properties of 5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one?
5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one has a molecular weight of 234.34 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one is sourced from PubChem (CID 172797523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).