4,7-dihydrocyclohepta[d][1,3]dioxine

C9H10O2 — CID 171814049

IUPAC4,7-dihydrocyclohepta[d][1,3]dioxine
SMILESC1=CC2=C(C=CC1)OCOC2
InChIInChI=1S/C9H10O2/c1-2-4-8-6-10-7-11-9(8)5-3-1/h2-5H,1,6-7H2
InChIKeyDKADEIVPVUKTTJ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.76
Rot. Bonds

About 4,7-dihydrocyclohepta[d][1,3]dioxine

4,7-dihydrocyclohepta[d][1,3]dioxine (PubChem CID 171814049) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4,7-dihydrocyclohepta[d][1,3]dioxine.

Molecular Properties

Compound Name4,7-dihydrocyclohepta[d][1,3]dioxine
PubChem CID171814049
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name4,7-dihydrocyclohepta[d][1,3]dioxine
SMILESC1=CC2=C(C=CC1)OCOC2
InChIInChI=1S/C9H10O2/c1-2-4-8-6-10-7-11-9(8)5-3-1/h2-5H,1,6-7H2
InChIKeyDKADEIVPVUKTTJ-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,7-dihydrocyclohepta[d][1,3]dioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,7-dihydrocyclohepta[d][1,3]dioxine?
The IUPAC name of 4,7-dihydrocyclohepta[d][1,3]dioxine (CID 171814049) is 4,7-dihydrocyclohepta[d][1,3]dioxine.
What is the SMILES notation for 4,7-dihydrocyclohepta[d][1,3]dioxine?
The canonical SMILES for 4,7-dihydrocyclohepta[d][1,3]dioxine is C1=CC2=C(C=CC1)OCOC2.
What is the InChIKey of 4,7-dihydrocyclohepta[d][1,3]dioxine?
The InChIKey is DKADEIVPVUKTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-4-8-6-10-7-11-9(8)5-3-1/h2-5H,1,6-7H2.
What are the key properties of 4,7-dihydrocyclohepta[d][1,3]dioxine?
4,7-dihydrocyclohepta[d][1,3]dioxine has a molecular weight of 150.18 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydrocyclohepta[d][1,3]dioxine is sourced from PubChem (CID 171814049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).