4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene

C11H18O — CID 15416292

IUPAC4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene
SMILESCC1CCC2C(C)C=COC2C1
InChIInChI=1S/C11H18O/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyJRYXIJSVOVFWBF-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.97
Rot. Bonds

About 4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene

4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene (PubChem CID 15416292) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene.

Molecular Properties

Compound Name4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene
PubChem CID15416292
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene
SMILESCC1CCC2C(C)C=COC2C1
InChIInChI=1S/C11H18O/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyJRYXIJSVOVFWBF-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene?
The IUPAC name of 4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene (CID 15416292) is 4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene.
What is the SMILES notation for 4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene?
The canonical SMILES for 4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene is CC1CCC2C(C)C=COC2C1.
What is the InChIKey of 4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene?
The InChIKey is JRYXIJSVOVFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of 4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene?
4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene has a molecular weight of 166.26 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene is sourced from PubChem (CID 15416292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).