6-(2-bromoethyl)-3,6-dihydro-2H-pyran

C7H11BrO — CID 11735653

IUPAC6-(2-bromoethyl)-3,6-dihydro-2H-pyran
SMILESBrCCC1C=CCCO1
InChIInChI=1S/C7H11BrO/c8-5-4-7-3-1-2-6-9-7/h1,3,7H,2,4-6H2
InChIKeyVGHQZOBHGVCIKY-UHFFFAOYSA-N
MW191.07 g/mol
LogP2.12
Rot. Bonds2

About 6-(2-bromoethyl)-3,6-dihydro-2H-pyran

6-(2-bromoethyl)-3,6-dihydro-2H-pyran (PubChem CID 11735653) has the molecular formula C7H11BrO and a molecular weight of 191.07 g/mol. Its IUPAC name is 6-(2-bromoethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(2-bromoethyl)-3,6-dihydro-2H-pyran
PubChem CID11735653
Molecular FormulaC7H11BrO
Molecular Weight191.07 g/mol
Exact Mass190.00
IUPAC Name6-(2-bromoethyl)-3,6-dihydro-2H-pyran
SMILESBrCCC1C=CCCO1
InChIInChI=1S/C7H11BrO/c8-5-4-7-3-1-2-6-9-7/h1,3,7H,2,4-6H2
InChIKeyVGHQZOBHGVCIKY-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-3,6-dihydro-2H-pyran
CID 22595336
2-Ethyl-5,6-dihydro-2h-pyran
CID 12536731
5-(bromomethyl)-3,6-dihydro-2H-pyran
CID 86099829
3-(bromomethyl)-3,6-dihydro-2H-pyran
CID 165986498
4-Bromo-6-methyl-3,6-dihydro-2H-pyran
CID 13171735
2H-Pyran, 3,6-dihydro-2-methyl-
CID 12292645
2,6-Dimethyl-3,6-dihydropyran
CID 20035294
6-(Dibromomethyl)-6-methyl-3,6-dihydro-2H-pyran
CID 13816717
cis-2,6-Dimethyl-3,6-dihydro-2h-pyran
CID 129692862
(6R)-4-bromo-6-methyl-3,6-dihydro-2H-pyran
CID 5324859
2-(Bromomethyl)-2,5-dihydrofuran
CID 19975260
2-ethenyl-3,6-dihydro-2H-pyran
CID 21495794

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 6-(2-bromoethyl)-3,6-dihydro-2H-pyran (CID 11735653) is 6-(2-bromoethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-(2-bromoethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-(2-bromoethyl)-3,6-dihydro-2H-pyran is BrCCC1C=CCCO1.
What is the InChIKey of 6-(2-bromoethyl)-3,6-dihydro-2H-pyran?
The InChIKey is VGHQZOBHGVCIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrO/c8-5-4-7-3-1-2-6-9-7/h1,3,7H,2,4-6H2.
What are the key properties of 6-(2-bromoethyl)-3,6-dihydro-2H-pyran?
6-(2-bromoethyl)-3,6-dihydro-2H-pyran has a molecular weight of 191.07 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11735653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).