(1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol

C10H16O2 — CID 13426889

IUPAC(1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol
SMILESCOC12C=CC(CC1)CC2CO
InChIInChI=1S/C10H16O2/c1-12-10-4-2-8(3-5-10)6-9(10)7-11/h2,4,8-9,11H,3,5-7H2,1H3
InChIKeyWLBAVHAALCQRRI-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.35
Rot. Bonds2

About (1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol

(1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol (PubChem CID 13426889) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol.

Molecular Properties

Compound Name(1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol
PubChem CID13426889
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol
SMILESCOC12C=CC(CC1)CC2CO
InChIInChI=1S/C10H16O2/c1-12-10-4-2-8(3-5-10)6-9(10)7-11/h2,4,8-9,11H,3,5-7H2,1H3
InChIKeyWLBAVHAALCQRRI-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
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 (1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol?
The IUPAC name of (1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol (CID 13426889) is (1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol.
What is the SMILES notation for (1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol?
The canonical SMILES for (1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol is COC12C=CC(CC1)CC2CO.
What is the InChIKey of (1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol?
The InChIKey is WLBAVHAALCQRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-12-10-4-2-8(3-5-10)6-9(10)7-11/h2,4,8-9,11H,3,5-7H2,1H3.
What are the key properties of (1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol?
(1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol has a molecular weight of 168.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-bicyclo[2.2.2]oct-5-enyl)methanol is sourced from PubChem (CID 13426889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).