4-bromo-6-methyl-3,6-dihydro-2H-pyran

C6H9BrO — CID 13171735

IUPAC4-bromo-6-methyl-3,6-dihydro-2H-pyran
SMILESCC1C=C(Br)CCO1
InChIInChI=1S/C6H9BrO/c1-5-4-6(7)2-3-8-5/h4-5H,2-3H2,1H3
InChIKeyAWYAOOZANZXINQ-UHFFFAOYSA-N
MW177.04 g/mol
LogP2.07
Rot. Bonds

About 4-bromo-6-methyl-3,6-dihydro-2H-pyran

4-bromo-6-methyl-3,6-dihydro-2H-pyran (PubChem CID 13171735) has the molecular formula C6H9BrO and a molecular weight of 177.04 g/mol. Its IUPAC name is 4-bromo-6-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-bromo-6-methyl-3,6-dihydro-2H-pyran
PubChem CID13171735
Molecular FormulaC6H9BrO
Molecular Weight177.04 g/mol
Exact Mass175.98
IUPAC Name4-bromo-6-methyl-3,6-dihydro-2H-pyran
SMILESCC1C=C(Br)CCO1
InChIInChI=1S/C6H9BrO/c1-5-4-6(7)2-3-8-5/h4-5H,2-3H2,1H3
InChIKeyAWYAOOZANZXINQ-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.04
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 4-bromo-6-methyl-3,6-dihydro-2H-pyran (CID 13171735) is 4-bromo-6-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-bromo-6-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-bromo-6-methyl-3,6-dihydro-2H-pyran is CC1C=C(Br)CCO1.
What is the InChIKey of 4-bromo-6-methyl-3,6-dihydro-2H-pyran?
The InChIKey is AWYAOOZANZXINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrO/c1-5-4-6(7)2-3-8-5/h4-5H,2-3H2,1H3.
What are the key properties of 4-bromo-6-methyl-3,6-dihydro-2H-pyran?
4-bromo-6-methyl-3,6-dihydro-2H-pyran has a molecular weight of 177.04 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 13171735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).