6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran

C13H16O — CID 90120974

IUPAC6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran
SMILESCC1CC=CC2=C1OC1C=CCCC21
InChIInChI=1S/C13H16O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h3-4,7-10,12H,2,5-6H2,1H3
InChIKeyDCXQVSWBXCOECN-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.20
Rot. Bonds

About 6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran

6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran (PubChem CID 90120974) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran.

Molecular Properties

Compound Name6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran
PubChem CID90120974
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran
SMILESCC1CC=CC2=C1OC1C=CCCC21
InChIInChI=1S/C13H16O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h3-4,7-10,12H,2,5-6H2,1H3
InChIKeyDCXQVSWBXCOECN-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
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 6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran?
The IUPAC name of 6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran (CID 90120974) is 6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran.
What is the SMILES notation for 6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran?
The canonical SMILES for 6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran is CC1CC=CC2=C1OC1C=CCCC21.
What is the InChIKey of 6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran?
The InChIKey is DCXQVSWBXCOECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h3-4,7-10,12H,2,5-6H2,1H3.
What are the key properties of 6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran?
6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran has a molecular weight of 188.27 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,4a,6,7,9b-hexahydrodibenzofuran is sourced from PubChem (CID 90120974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).