5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol

C11H18O3 — CID 22922336

IUPAC5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol
SMILESCOC12CC(C)(C)C(O1)C(O)C=C2C
InChIInChI=1S/C11H18O3/c1-7-5-8(12)9-10(2,3)6-11(7,13-4)14-9/h5,8-9,12H,6H2,1-4H3
InChIKeyKPIMENWECKGWAO-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.47
Rot. Bonds1

About 5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol

5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol (PubChem CID 22922336) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol.

Molecular Properties

Compound Name5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol
PubChem CID22922336
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol
SMILESCOC12CC(C)(C)C(O1)C(O)C=C2C
InChIInChI=1S/C11H18O3/c1-7-5-8(12)9-10(2,3)6-11(7,13-4)14-9/h5,8-9,12H,6H2,1-4H3
InChIKeyKPIMENWECKGWAO-UHFFFAOYSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol?
The IUPAC name of 5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol (CID 22922336) is 5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol.
What is the SMILES notation for 5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol?
The canonical SMILES for 5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol is COC12CC(C)(C)C(O1)C(O)C=C2C.
What is the InChIKey of 5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol?
The InChIKey is KPIMENWECKGWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-7-5-8(12)9-10(2,3)6-11(7,13-4)14-9/h5,8-9,12H,6H2,1-4H3.
What are the key properties of 5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol?
5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol has a molecular weight of 198.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-ol is sourced from PubChem (CID 22922336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).