3,8-dihydro-2H-cyclohepta[b][1,4]dioxine

C9H10O2 — CID 142930509

IUPAC3,8-dihydro-2H-cyclohepta[b][1,4]dioxine
SMILESC1=CCC=C2OCCOC2=C1
InChIInChI=1S/C9H10O2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-2,4-5H,3,6-7H2
InChIKeyJFYWBSFIUFIHKC-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.76
Rot. Bonds

About 3,8-dihydro-2H-cyclohepta[b][1,4]dioxine

3,8-dihydro-2H-cyclohepta[b][1,4]dioxine (PubChem CID 142930509) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3,8-dihydro-2H-cyclohepta[b][1,4]dioxine.

Molecular Properties

Compound Name3,8-dihydro-2H-cyclohepta[b][1,4]dioxine
PubChem CID142930509
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3,8-dihydro-2H-cyclohepta[b][1,4]dioxine
SMILESC1=CCC=C2OCCOC2=C1
InChIInChI=1S/C9H10O2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-2,4-5H,3,6-7H2
InChIKeyJFYWBSFIUFIHKC-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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,8-dihydro-2H-cyclohepta[b][1,4]dioxine?
The IUPAC name of 3,8-dihydro-2H-cyclohepta[b][1,4]dioxine (CID 142930509) is 3,8-dihydro-2H-cyclohepta[b][1,4]dioxine.
What is the SMILES notation for 3,8-dihydro-2H-cyclohepta[b][1,4]dioxine?
The canonical SMILES for 3,8-dihydro-2H-cyclohepta[b][1,4]dioxine is C1=CCC=C2OCCOC2=C1.
What is the InChIKey of 3,8-dihydro-2H-cyclohepta[b][1,4]dioxine?
The InChIKey is JFYWBSFIUFIHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-2,4-5H,3,6-7H2.
What are the key properties of 3,8-dihydro-2H-cyclohepta[b][1,4]dioxine?
3,8-dihydro-2H-cyclohepta[b][1,4]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 3,8-dihydro-2H-cyclohepta[b][1,4]dioxine is sourced from PubChem (CID 142930509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).