2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole

C11H14O2 — CID 121219869

IUPAC2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole
SMILESCC1OC2CC3=C(CC=CC3)C2O1
InChIInChI=1S/C11H14O2/c1-7-12-10-6-8-4-2-3-5-9(8)11(10)13-7/h2-3,7,10-11H,4-6H2,1H3
InChIKeyBXGUHOVNSZYRLX-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.17
Rot. Bonds

About 2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole

2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole (PubChem CID 121219869) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole.

Molecular Properties

Compound Name2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole
PubChem CID121219869
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole
SMILESCC1OC2CC3=C(CC=CC3)C2O1
InChIInChI=1S/C11H14O2/c1-7-12-10-6-8-4-2-3-5-9(8)11(10)13-7/h2-3,7,10-11H,4-6H2,1H3
InChIKeyBXGUHOVNSZYRLX-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole?
The IUPAC name of 2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole (CID 121219869) is 2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole.
What is the SMILES notation for 2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole?
The canonical SMILES for 2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole is CC1OC2CC3=C(CC=CC3)C2O1.
What is the InChIKey of 2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole?
The InChIKey is BXGUHOVNSZYRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-12-10-6-8-4-2-3-5-9(8)11(10)13-7/h2-3,7,10-11H,4-6H2,1H3.
What are the key properties of 2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole?
2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole has a molecular weight of 178.23 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,8,8b-tetrahydro-3aH-indeno[1,2-d][1,3]dioxole is sourced from PubChem (CID 121219869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).