[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol

C8H12O2 — CID 11263530

IUPAC[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
SMILESC[C@H]1[C@@H](CO)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C8H12O2/c1-5-6(4-9)8-3-2-7(5)10-8/h2-3,5-9H,4H2,1H3/t5-,6+,7+,8-/m0/s1
InChIKeyIOMRVSGHIFUDKV-OSMVPFSASA-N
MW140.18 g/mol
LogP0.57
Rot. Bonds1

About [(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol

[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol (PubChem CID 11263530) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is [(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol.

Molecular Properties

Compound Name[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
PubChem CID11263530
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
SMILESC[C@H]1[C@@H](CO)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C8H12O2/c1-5-6(4-9)8-3-2-7(5)10-8/h2-3,5-9H,4H2,1H3/t5-,6+,7+,8-/m0/s1
InChIKeyIOMRVSGHIFUDKV-OSMVPFSASA-N
XLogP0.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.57
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 [(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The IUPAC name of [(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol (CID 11263530) is [(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol.
What is the SMILES notation for [(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The canonical SMILES for [(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol is C[C@H]1[C@@H](CO)[C@@H]2C=C[C@H]1O2.
What is the InChIKey of [(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The InChIKey is IOMRVSGHIFUDKV-OSMVPFSASA-N. The full InChI is InChI=1S/C8H12O2/c1-5-6(4-9)8-3-2-7(5)10-8/h2-3,5-9H,4H2,1H3/t5-,6+,7+,8-/m0/s1.
What are the key properties of [(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol has a molecular weight of 140.18 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol is sourced from PubChem (CID 11263530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).