2-(1-bromoethyl)-3,4-dihydro-2H-pyran

C7H11BrO — CID 174413074

IUPAC2-(1-bromoethyl)-3,4-dihydro-2H-pyran
SMILESCC(Br)C1CCC=CO1
InChIInChI=1S/C7H11BrO/c1-6(8)7-4-2-3-5-9-7/h3,5-7H,2,4H2,1H3
InChIKeyGGGYRDDUFMCFCE-UHFFFAOYSA-N
MW191.07 g/mol
LogP2.46
Rot. Bonds1

About 2-(1-bromoethyl)-3,4-dihydro-2H-pyran

2-(1-bromoethyl)-3,4-dihydro-2H-pyran (PubChem CID 174413074) has the molecular formula C7H11BrO and a molecular weight of 191.07 g/mol. Its IUPAC name is 2-(1-bromoethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(1-bromoethyl)-3,4-dihydro-2H-pyran
PubChem CID174413074
Molecular FormulaC7H11BrO
Molecular Weight191.07 g/mol
Exact Mass190.00
IUPAC Name2-(1-bromoethyl)-3,4-dihydro-2H-pyran
SMILESCC(Br)C1CCC=CO1
InChIInChI=1S/C7H11BrO/c1-6(8)7-4-2-3-5-9-7/h3,5-7H,2,4H2,1H3
InChIKeyGGGYRDDUFMCFCE-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 2-(1-bromoethyl)-3,4-dihydro-2H-pyran (CID 174413074) is 2-(1-bromoethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-(1-bromoethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-(1-bromoethyl)-3,4-dihydro-2H-pyran is CC(Br)C1CCC=CO1.
What is the InChIKey of 2-(1-bromoethyl)-3,4-dihydro-2H-pyran?
The InChIKey is GGGYRDDUFMCFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrO/c1-6(8)7-4-2-3-5-9-7/h3,5-7H,2,4H2,1H3.
What are the key properties of 2-(1-bromoethyl)-3,4-dihydro-2H-pyran?
2-(1-bromoethyl)-3,4-dihydro-2H-pyran has a molecular weight of 191.07 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 174413074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).