8a-methyl-2,6-dihydro-1H-azulen-6-ol

C11H14O — CID 14321294

IUPAC8a-methyl-2,6-dihydro-1H-azulen-6-ol
SMILESCC12C=CC(O)C=CC1=CCC2
InChIInChI=1S/C11H14O/c1-11-7-2-3-9(11)4-5-10(12)6-8-11/h3-6,8,10,12H,2,7H2,1H3
InChIKeyOHBMCJQFPJNMLJ-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.20
Rot. Bonds

About 8a-methyl-2,6-dihydro-1H-azulen-6-ol

8a-methyl-2,6-dihydro-1H-azulen-6-ol (PubChem CID 14321294) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 8a-methyl-2,6-dihydro-1H-azulen-6-ol.

Molecular Properties

Compound Name8a-methyl-2,6-dihydro-1H-azulen-6-ol
PubChem CID14321294
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name8a-methyl-2,6-dihydro-1H-azulen-6-ol
SMILESCC12C=CC(O)C=CC1=CCC2
InChIInChI=1S/C11H14O/c1-11-7-2-3-9(11)4-5-10(12)6-8-11/h3-6,8,10,12H,2,7H2,1H3
InChIKeyOHBMCJQFPJNMLJ-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 8a-methyl-2,6-dihydro-1H-azulen-6-ol?
The IUPAC name of 8a-methyl-2,6-dihydro-1H-azulen-6-ol (CID 14321294) is 8a-methyl-2,6-dihydro-1H-azulen-6-ol.
What is the SMILES notation for 8a-methyl-2,6-dihydro-1H-azulen-6-ol?
The canonical SMILES for 8a-methyl-2,6-dihydro-1H-azulen-6-ol is CC12C=CC(O)C=CC1=CCC2.
What is the InChIKey of 8a-methyl-2,6-dihydro-1H-azulen-6-ol?
The InChIKey is OHBMCJQFPJNMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-11-7-2-3-9(11)4-5-10(12)6-8-11/h3-6,8,10,12H,2,7H2,1H3.
What are the key properties of 8a-methyl-2,6-dihydro-1H-azulen-6-ol?
8a-methyl-2,6-dihydro-1H-azulen-6-ol has a molecular weight of 162.23 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-2,6-dihydro-1H-azulen-6-ol is sourced from PubChem (CID 14321294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).