7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran

C12H18O2 — CID 141027329

IUPAC7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran
SMILESCC1=CC2=C(CCC(C(C)C)O2)CO1
InChIInChI=1S/C12H18O2/c1-8(2)11-5-4-10-7-13-9(3)6-12(10)14-11/h6,8,11H,4-5,7H2,1-3H3
InChIKeyKOXHSXPTEQKLDO-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.01
Rot. Bonds1

About 7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran

7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran (PubChem CID 141027329) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran.

Molecular Properties

Compound Name7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran
PubChem CID141027329
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran
SMILESCC1=CC2=C(CCC(C(C)C)O2)CO1
InChIInChI=1S/C12H18O2/c1-8(2)11-5-4-10-7-13-9(3)6-12(10)14-11/h6,8,11H,4-5,7H2,1-3H3
InChIKeyKOXHSXPTEQKLDO-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran 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 7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran?
The IUPAC name of 7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran (CID 141027329) is 7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran.
What is the SMILES notation for 7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran?
The canonical SMILES for 7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran is CC1=CC2=C(CCC(C(C)C)O2)CO1.
What is the InChIKey of 7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran?
The InChIKey is KOXHSXPTEQKLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(2)11-5-4-10-7-13-9(3)6-12(10)14-11/h6,8,11H,4-5,7H2,1-3H3.
What are the key properties of 7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran?
7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran has a molecular weight of 194.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-yl-2,3,4,5-tetrahydropyrano[3,2-c]pyran is sourced from PubChem (CID 141027329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).