2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene

C13H20O — CID 91750721

IUPAC2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene
SMILESCC1=CCC(C)(C)C2=CCC(C)OC12
InChIInChI=1S/C13H20O/c1-9-7-8-13(3,4)11-6-5-10(2)14-12(9)11/h6-7,10,12H,5,8H2,1-4H3
InChIKeyQSNSTTXTTHZOKR-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.47
Rot. Bonds

About 2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene

2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene (PubChem CID 91750721) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene.

Molecular Properties

Compound Name2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene
PubChem CID91750721
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene
SMILESCC1=CCC(C)(C)C2=CCC(C)OC12
InChIInChI=1S/C13H20O/c1-9-7-8-13(3,4)11-6-5-10(2)14-12(9)11/h6-7,10,12H,5,8H2,1-4H3
InChIKeyQSNSTTXTTHZOKR-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene 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 2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene?
The IUPAC name of 2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene (CID 91750721) is 2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene.
What is the SMILES notation for 2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene?
The canonical SMILES for 2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene is CC1=CCC(C)(C)C2=CCC(C)OC12.
What is the InChIKey of 2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene?
The InChIKey is QSNSTTXTTHZOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9-7-8-13(3,4)11-6-5-10(2)14-12(9)11/h6-7,10,12H,5,8H2,1-4H3.
What are the key properties of 2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene?
2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene has a molecular weight of 192.30 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,8-tetramethyl-2,3,6,8a-tetrahydrochromene is sourced from PubChem (CID 91750721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).