6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one

C12H18O2 — CID 162884128

IUPAC6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one
SMILESCC(C)C1C(C)CC2C=CC(=O)OC21
InChIInChI=1S/C12H18O2/c1-7(2)11-8(3)6-9-4-5-10(13)14-12(9)11/h4-5,7-9,11-12H,6H2,1-3H3
InChIKeyBUPFPLYCEQLRBG-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.40
Rot. Bonds1

About 6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one

6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one (PubChem CID 162884128) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one.

Molecular Properties

Compound Name6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one
PubChem CID162884128
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one
SMILESCC(C)C1C(C)CC2C=CC(=O)OC21
InChIInChI=1S/C12H18O2/c1-7(2)11-8(3)6-9-4-5-10(13)14-12(9)11/h4-5,7-9,11-12H,6H2,1-3H3
InChIKeyBUPFPLYCEQLRBG-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one 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 6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one?
The IUPAC name of 6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one (CID 162884128) is 6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one.
What is the SMILES notation for 6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one?
The canonical SMILES for 6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one is CC(C)C1C(C)CC2C=CC(=O)OC21.
What is the InChIKey of 6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one?
The InChIKey is BUPFPLYCEQLRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-7(2)11-8(3)6-9-4-5-10(13)14-12(9)11/h4-5,7-9,11-12H,6H2,1-3H3.
What are the key properties of 6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one?
6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one has a molecular weight of 194.27 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one is sourced from PubChem (CID 162884128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).