2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole

C10H12O2 — CID 142414090

IUPAC2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole
SMILESCC1(C)OC2=C(C=CCC=C2)O1
InChIInChI=1S/C10H12O2/c1-10(2)11-8-6-4-3-5-7-9(8)12-10/h4-7H,3H2,1-2H3
InChIKeyLTTHLZGLDALBDD-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.50
Rot. Bonds

About 2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole

2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole (PubChem CID 142414090) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole.

Molecular Properties

Compound Name2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole
PubChem CID142414090
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole
SMILESCC1(C)OC2=C(C=CCC=C2)O1
InChIInChI=1S/C10H12O2/c1-10(2)11-8-6-4-3-5-7-9(8)12-10/h4-7H,3H2,1-2H3
InChIKeyLTTHLZGLDALBDD-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole?
The IUPAC name of 2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole (CID 142414090) is 2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole.
What is the SMILES notation for 2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole?
The canonical SMILES for 2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole is CC1(C)OC2=C(C=CCC=C2)O1.
What is the InChIKey of 2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole?
The InChIKey is LTTHLZGLDALBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-10(2)11-8-6-4-3-5-7-9(8)12-10/h4-7H,3H2,1-2H3.
What are the key properties of 2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole?
2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole has a molecular weight of 164.20 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6H-cyclohepta[d][1,3]dioxole is sourced from PubChem (CID 142414090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).