(1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene

C10H16O2 — CID 10080769

IUPAC(1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene
SMILESCOC1[C@@H](C)[C@H]2C=C[C@H](O2)[C@H]1C
InChIInChI=1S/C10H16O2/c1-6-8-4-5-9(12-8)7(2)10(6)11-3/h4-10H,1-3H3/t6-,7+,8+,9-,10?
InChIKeyFKBHQOWSVJSBTF-ZGHGJDBCSA-N
MW168.24 g/mol
LogP1.61
Rot. Bonds1

About (1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene

(1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene (PubChem CID 10080769) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name(1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene
PubChem CID10080769
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene
SMILESCOC1[C@@H](C)[C@H]2C=C[C@H](O2)[C@H]1C
InChIInChI=1S/C10H16O2/c1-6-8-4-5-9(12-8)7(2)10(6)11-3/h4-10H,1-3H3/t6-,7+,8+,9-,10?
InChIKeyFKBHQOWSVJSBTF-ZGHGJDBCSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.61
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 (1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene?
The IUPAC name of (1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene (CID 10080769) is (1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for (1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for (1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene is COC1[C@@H](C)[C@H]2C=C[C@H](O2)[C@H]1C.
What is the InChIKey of (1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene?
The InChIKey is FKBHQOWSVJSBTF-ZGHGJDBCSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-8-4-5-9(12-8)7(2)10(6)11-3/h4-10H,1-3H3/t6-,7+,8+,9-,10?.
What are the key properties of (1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene?
(1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene has a molecular weight of 168.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 10080769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).