2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol

C9H14O2 — CID 14737804

IUPAC2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESCC1C2C=CC(O2)C(C)C1O
InChIInChI=1S/C9H14O2/c1-5-7-3-4-8(11-7)6(2)9(5)10/h3-10H,1-2H3
InChIKeyQCPBKNVOPQAYFS-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.96
Rot. Bonds

About 2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol

2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol (PubChem CID 14737804) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
PubChem CID14737804
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESCC1C2C=CC(O2)C(C)C1O
InChIInChI=1S/C9H14O2/c1-5-7-3-4-8(11-7)6(2)9(5)10/h3-10H,1-2H3
InChIKeyQCPBKNVOPQAYFS-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.96
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 2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The IUPAC name of 2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol (CID 14737804) is 2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol.
What is the SMILES notation for 2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The canonical SMILES for 2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol is CC1C2C=CC(O2)C(C)C1O.
What is the InChIKey of 2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The InChIKey is QCPBKNVOPQAYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-7-3-4-8(11-7)6(2)9(5)10/h3-10H,1-2H3.
What are the key properties of 2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol has a molecular weight of 154.21 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol is sourced from PubChem (CID 14737804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).