2,3-dihydrocyclohepta[b][1,4]dioxine;ethane

C11H14O2 — CID 142933443

IUPAC2,3-dihydrocyclohepta[b][1,4]dioxine;ethane
SMILESC1=CC=CC2=C(C=1)OCCO2.CC
InChIInChI=1S/C9H8O2.C2H6/c1-2-4-8-9(5-3-1)11-7-6-10-8;1-2/h1-2,4-5H,6-7H2;1-2H3
InChIKeyDOKVCTIAWMXLMN-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.55
Rot. Bonds

About 2,3-dihydrocyclohepta[b][1,4]dioxine;ethane

2,3-dihydrocyclohepta[b][1,4]dioxine;ethane (PubChem CID 142933443) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,3-dihydrocyclohepta[b][1,4]dioxine;ethane.

Molecular Properties

Compound Name2,3-dihydrocyclohepta[b][1,4]dioxine;ethane
PubChem CID142933443
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2,3-dihydrocyclohepta[b][1,4]dioxine;ethane
SMILESC1=CC=CC2=C(C=1)OCCO2.CC
InChIInChI=1S/C9H8O2.C2H6/c1-2-4-8-9(5-3-1)11-7-6-10-8;1-2/h1-2,4-5H,6-7H2;1-2H3
InChIKeyDOKVCTIAWMXLMN-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrocyclohepta[b][1,4]dioxine;ethane?
The IUPAC name of 2,3-dihydrocyclohepta[b][1,4]dioxine;ethane (CID 142933443) is 2,3-dihydrocyclohepta[b][1,4]dioxine;ethane.
What is the SMILES notation for 2,3-dihydrocyclohepta[b][1,4]dioxine;ethane?
The canonical SMILES for 2,3-dihydrocyclohepta[b][1,4]dioxine;ethane is C1=CC=CC2=C(C=1)OCCO2.CC.
What is the InChIKey of 2,3-dihydrocyclohepta[b][1,4]dioxine;ethane?
The InChIKey is DOKVCTIAWMXLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.C2H6/c1-2-4-8-9(5-3-1)11-7-6-10-8;1-2/h1-2,4-5H,6-7H2;1-2H3.
What are the key properties of 2,3-dihydrocyclohepta[b][1,4]dioxine;ethane?
2,3-dihydrocyclohepta[b][1,4]dioxine;ethane has a molecular weight of 178.23 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrocyclohepta[b][1,4]dioxine;ethane is sourced from PubChem (CID 142933443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).