2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine

C10H12O2 — CID 175556730

IUPAC2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine
SMILESC=C1C=CC2=C(OCCCC2)O1
InChIInChI=1S/C10H12O2/c1-8-5-6-9-4-2-3-7-11-10(9)12-8/h5-6H,1-4,7H2
InChIKeyAXHIGHMXLOJHME-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.50
Rot. Bonds

About 2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine

2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine (PubChem CID 175556730) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine.

Molecular Properties

Compound Name2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine
PubChem CID175556730
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine
SMILESC=C1C=CC2=C(OCCCC2)O1
InChIInChI=1S/C10H12O2/c1-8-5-6-9-4-2-3-7-11-10(9)12-8/h5-6H,1-4,7H2
InChIKeyAXHIGHMXLOJHME-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-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine?
The IUPAC name of 2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine (CID 175556730) is 2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine.
What is the SMILES notation for 2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine?
The canonical SMILES for 2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine is C=C1C=CC2=C(OCCCC2)O1.
What is the InChIKey of 2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine?
The InChIKey is AXHIGHMXLOJHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8-5-6-9-4-2-3-7-11-10(9)12-8/h5-6H,1-4,7H2.
What are the key properties of 2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine?
2-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine 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-methylidene-5,6,7,8-tetrahydropyrano[2,3-b]oxepine is sourced from PubChem (CID 175556730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).