3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol

C8H12O2 — CID 557597

IUPAC3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESCC1(O)CC2C=CC(C1)O2
InChIInChI=1S/C8H12O2/c1-8(9)4-6-2-3-7(5-8)10-6/h2-3,6-7,9H,4-5H2,1H3
InChIKeyBRJQVMNTAPIFBP-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.85
Rot. Bonds

About 3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol

3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol (PubChem CID 557597) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol.

Molecular Properties

Compound Name3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
PubChem CID557597
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESCC1(O)CC2C=CC(C1)O2
InChIInChI=1S/C8H12O2/c1-8(9)4-6-2-3-7(5-8)10-6/h2-3,6-7,9H,4-5H2,1H3
InChIKeyBRJQVMNTAPIFBP-UHFFFAOYSA-N
XLogP0.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.85
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 3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The IUPAC name of 3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol (CID 557597) is 3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol.
What is the SMILES notation for 3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The canonical SMILES for 3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol is CC1(O)CC2C=CC(C1)O2.
What is the InChIKey of 3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The InChIKey is BRJQVMNTAPIFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(9)4-6-2-3-7(5-8)10-6/h2-3,6-7,9H,4-5H2,1H3.
What are the key properties of 3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol has a molecular weight of 140.18 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol is sourced from PubChem (CID 557597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).