4-cyclohexa-1,2-dien-1-yloxy-2H-pyran

C11H12O2 — CID 87795755

IUPAC4-cyclohexa-1,2-dien-1-yloxy-2H-pyran
SMILESC1=CCCCC=1OC1=CCOC=C1
InChIInChI=1S/C11H12O2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h2,6-8H,1,3,5,9H2
InChIKeyXZBIRMUQANBRMM-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.65
Rot. Bonds2

About 4-cyclohexa-1,2-dien-1-yloxy-2H-pyran

4-cyclohexa-1,2-dien-1-yloxy-2H-pyran (PubChem CID 87795755) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-cyclohexa-1,2-dien-1-yloxy-2H-pyran.

Molecular Properties

Compound Name4-cyclohexa-1,2-dien-1-yloxy-2H-pyran
PubChem CID87795755
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name4-cyclohexa-1,2-dien-1-yloxy-2H-pyran
SMILESC1=CCCCC=1OC1=CCOC=C1
InChIInChI=1S/C11H12O2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h2,6-8H,1,3,5,9H2
InChIKeyXZBIRMUQANBRMM-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,2-dien-1-yloxy-2H-pyran?
The IUPAC name of 4-cyclohexa-1,2-dien-1-yloxy-2H-pyran (CID 87795755) is 4-cyclohexa-1,2-dien-1-yloxy-2H-pyran.
What is the SMILES notation for 4-cyclohexa-1,2-dien-1-yloxy-2H-pyran?
The canonical SMILES for 4-cyclohexa-1,2-dien-1-yloxy-2H-pyran is C1=CCCCC=1OC1=CCOC=C1.
What is the InChIKey of 4-cyclohexa-1,2-dien-1-yloxy-2H-pyran?
The InChIKey is XZBIRMUQANBRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h2,6-8H,1,3,5,9H2.
What are the key properties of 4-cyclohexa-1,2-dien-1-yloxy-2H-pyran?
4-cyclohexa-1,2-dien-1-yloxy-2H-pyran has a molecular weight of 176.22 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,2-dien-1-yloxy-2H-pyran is sourced from PubChem (CID 87795755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).