(9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole

C14H18O2 — CID 121400495

IUPAC(9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole
SMILESCC1(C)OC2CCc3ccccc3[C@@]2(C)O1
InChIInChI=1S/C14H18O2/c1-13(2)15-12-9-8-10-6-4-5-7-11(10)14(12,3)16-13/h4-7,12H,8-9H2,1-3H3/t12?,14-/m1/s1
InChIKeyCWUNHSBUAQQDOI-TYZXPVIJSA-N
MW218.30 g/mol
LogP3.00
Rot. Bonds

About (9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole

(9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole (PubChem CID 121400495) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole.

Molecular Properties

Compound Name(9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole
PubChem CID121400495
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole
SMILESCC1(C)OC2CCc3ccccc3[C@@]2(C)O1
InChIInChI=1S/C14H18O2/c1-13(2)15-12-9-8-10-6-4-5-7-11(10)14(12,3)16-13/h4-7,12H,8-9H2,1-3H3/t12?,14-/m1/s1
InChIKeyCWUNHSBUAQQDOI-TYZXPVIJSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole 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 (9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole?
The IUPAC name of (9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole (CID 121400495) is (9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole.
What is the SMILES notation for (9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole?
The canonical SMILES for (9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole is CC1(C)OC2CCc3ccccc3[C@@]2(C)O1.
What is the InChIKey of (9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole?
The InChIKey is CWUNHSBUAQQDOI-TYZXPVIJSA-N. The full InChI is InChI=1S/C14H18O2/c1-13(2)15-12-9-8-10-6-4-5-7-11(10)14(12,3)16-13/h4-7,12H,8-9H2,1-3H3/t12?,14-/m1/s1.
What are the key properties of (9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole?
(9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole has a molecular weight of 218.30 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole is sourced from PubChem (CID 121400495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).