6-bromo-2-propoxy-3-propyl-4H-pyran

C11H17BrO2 — CID 54192676

IUPAC6-bromo-2-propoxy-3-propyl-4H-pyran
SMILESCCCOC1=C(CCC)CC=C(Br)O1
InChIInChI=1S/C11H17BrO2/c1-3-5-9-6-7-10(12)14-11(9)13-8-4-2/h7H,3-6,8H2,1-2H3
InChIKeyPJPOHXDPCMFNKZ-UHFFFAOYSA-N
MW261.16 g/mol
LogP4.08
Rot. Bonds5

About 6-bromo-2-propoxy-3-propyl-4H-pyran

6-bromo-2-propoxy-3-propyl-4H-pyran (PubChem CID 54192676) has the molecular formula C11H17BrO2 and a molecular weight of 261.16 g/mol. Its IUPAC name is 6-bromo-2-propoxy-3-propyl-4H-pyran.

Molecular Properties

Compound Name6-bromo-2-propoxy-3-propyl-4H-pyran
PubChem CID54192676
Molecular FormulaC11H17BrO2
Molecular Weight261.16 g/mol
Exact Mass260.04
IUPAC Name6-bromo-2-propoxy-3-propyl-4H-pyran
SMILESCCCOC1=C(CCC)CC=C(Br)O1
InChIInChI=1S/C11H17BrO2/c1-3-5-9-6-7-10(12)14-11(9)13-8-4-2/h7H,3-6,8H2,1-2H3
InChIKeyPJPOHXDPCMFNKZ-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diethoxymethylidenecyclohexane
CID 13085507
6-iodo-2-propoxy-3-propyl-4H-pyran
CID 53692507

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-propoxy-3-propyl-4H-pyran?
The IUPAC name of 6-bromo-2-propoxy-3-propyl-4H-pyran (CID 54192676) is 6-bromo-2-propoxy-3-propyl-4H-pyran.
What is the SMILES notation for 6-bromo-2-propoxy-3-propyl-4H-pyran?
The canonical SMILES for 6-bromo-2-propoxy-3-propyl-4H-pyran is CCCOC1=C(CCC)CC=C(Br)O1.
What is the InChIKey of 6-bromo-2-propoxy-3-propyl-4H-pyran?
The InChIKey is PJPOHXDPCMFNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO2/c1-3-5-9-6-7-10(12)14-11(9)13-8-4-2/h7H,3-6,8H2,1-2H3.
What are the key properties of 6-bromo-2-propoxy-3-propyl-4H-pyran?
6-bromo-2-propoxy-3-propyl-4H-pyran has a molecular weight of 261.16 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-propoxy-3-propyl-4H-pyran is sourced from PubChem (CID 54192676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).