(3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole

C12H14O2 — CID 44631131

IUPAC(3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole
SMILESCC1(C)O[C@@H]2Cc3ccccc3[C@@H]2O1
InChIInChI=1S/C12H14O2/c1-12(2)13-10-7-8-5-3-4-6-9(8)11(10)14-12/h3-6,10-11H,7H2,1-2H3/t10-,11+/m1/s1
InChIKeyXAQMIHVYPSDEMY-MNOVXSKESA-N
MW190.24 g/mol
LogP2.44
Rot. Bonds

About (3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole

(3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole (PubChem CID 44631131) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole
PubChem CID44631131
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole
SMILESCC1(C)O[C@@H]2Cc3ccccc3[C@@H]2O1
InChIInChI=1S/C12H14O2/c1-12(2)13-10-7-8-5-3-4-6-9(8)11(10)14-12/h3-6,10-11H,7H2,1-2H3/t10-,11+/m1/s1
InChIKeyXAQMIHVYPSDEMY-MNOVXSKESA-N
XLogP2.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole?
The IUPAC name of (3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole (CID 44631131) is (3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole.
What is the SMILES notation for (3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole?
The canonical SMILES for (3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole is CC1(C)O[C@@H]2Cc3ccccc3[C@@H]2O1.
What is the InChIKey of (3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole?
The InChIKey is XAQMIHVYPSDEMY-MNOVXSKESA-N. The full InChI is InChI=1S/C12H14O2/c1-12(2)13-10-7-8-5-3-4-6-9(8)11(10)14-12/h3-6,10-11H,7H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole?
(3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole has a molecular weight of 190.24 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]dioxole is sourced from PubChem (CID 44631131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).