9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene

C13H22O — CID 71338835

IUPAC9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene
SMILESCC1C2CCCCC2OC2CCCC21
InChIInChI=1S/C13H22O/c1-9-10-5-2-3-7-12(10)14-13-8-4-6-11(9)13/h9-13H,2-8H2,1H3
InChIKeyICQUKPPBCLQJJW-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.38
Rot. Bonds

About 9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene

9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene (PubChem CID 71338835) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene.

Molecular Properties

Compound Name9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene
PubChem CID71338835
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene
SMILESCC1C2CCCCC2OC2CCCC21
InChIInChI=1S/C13H22O/c1-9-10-5-2-3-7-12(10)14-13-8-4-6-11(9)13/h9-13H,2-8H2,1H3
InChIKeyICQUKPPBCLQJJW-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]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 9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene?
The IUPAC name of 9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene (CID 71338835) is 9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene.
What is the SMILES notation for 9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene?
The canonical SMILES for 9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene is CC1C2CCCCC2OC2CCCC21.
What is the InChIKey of 9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene?
The InChIKey is ICQUKPPBCLQJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-9-10-5-2-3-7-12(10)14-13-8-4-6-11(9)13/h9-13H,2-8H2,1H3.
What are the key properties of 9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene?
9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene has a molecular weight of 194.32 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene is sourced from PubChem (CID 71338835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).