8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine

C11H14O2 — CID 170194792

IUPAC8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine
SMILESCC1(C)C=CC=C2COCOC2=C1
InChIInChI=1S/C11H14O2/c1-11(2)5-3-4-9-7-12-8-13-10(9)6-11/h3-6H,7-8H2,1-2H3
InChIKeyDCIJRICIRKSQTK-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.40
Rot. Bonds

About 8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine

8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine (PubChem CID 170194792) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine.

Molecular Properties

Compound Name8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine
PubChem CID170194792
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine
SMILESCC1(C)C=CC=C2COCOC2=C1
InChIInChI=1S/C11H14O2/c1-11(2)5-3-4-9-7-12-8-13-10(9)6-11/h3-6H,7-8H2,1-2H3
InChIKeyDCIJRICIRKSQTK-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-5-methylcyclohepta[d][1,3]dioxole
CID 142164339
8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane
CID 143347512
8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran
CID 157035372
8,8-dimethyl-3,4-dihydro-2H-cyclohepta[c]pyridine-1-thione
CID 143253436
5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine
CID 13275526
6,6-dimethyl-3,4-dihydrocyclohepta[c][1,2,5]oxathiazine
CID 143335363
4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine
CID 166120455
8-methyl-6,7-dihydro-4H-1,3-benzodioxine
CID 89384807
2,5,5-trimethylcyclohepta[c]pyrrole-1,3-dione
CID 129274969
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
3,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130311423
3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene
CID 145419102

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine?
The IUPAC name of 8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine (CID 170194792) is 8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine.
What is the SMILES notation for 8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine?
The canonical SMILES for 8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine is CC1(C)C=CC=C2COCOC2=C1.
What is the InChIKey of 8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine?
The InChIKey is DCIJRICIRKSQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2)5-3-4-9-7-12-8-13-10(9)6-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine?
8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine has a molecular weight of 178.23 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine is sourced from PubChem (CID 170194792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).