5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole

C11H16O2 — CID 15409727

IUPAC5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole
SMILESC=C1C(C)=C2OCOC2CC1(C)C
InChIInChI=1S/C11H16O2/c1-7-8(2)11(3,4)5-9-10(7)13-6-12-9/h9H,2,5-6H2,1,3-4H3
InChIKeyABAFZBZFKZXBAK-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.62
Rot. Bonds

About 5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole

5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole (PubChem CID 15409727) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole.

Molecular Properties

Compound Name5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole
PubChem CID15409727
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole
SMILESC=C1C(C)=C2OCOC2CC1(C)C
InChIInChI=1S/C11H16O2/c1-7-8(2)11(3,4)5-9-10(7)13-6-12-9/h9H,2,5-6H2,1,3-4H3
InChIKeyABAFZBZFKZXBAK-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole?
The IUPAC name of 5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole (CID 15409727) is 5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole.
What is the SMILES notation for 5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole?
The canonical SMILES for 5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole is C=C1C(C)=C2OCOC2CC1(C)C.
What is the InChIKey of 5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole?
The InChIKey is ABAFZBZFKZXBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-8(2)11(3,4)5-9-10(7)13-6-12-9/h9H,2,5-6H2,1,3-4H3.
What are the key properties of 5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole?
5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole has a molecular weight of 180.25 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7-trimethyl-6-methylidene-3a,4-dihydro-1,3-benzodioxole is sourced from PubChem (CID 15409727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).