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

C7H11BrO2 — CID 15420743

IUPAC3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran
SMILESCOC1C=CC(Br)C(C)O1
InChIInChI=1S/C7H11BrO2/c1-5-6(8)3-4-7(9-2)10-5/h3-7H,1-2H3
InChIKeyGYDWZUDSIPPJEE-UHFFFAOYSA-N
MW207.07 g/mol
LogP1.70
Rot. Bonds1

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

3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran (PubChem CID 15420743) has the molecular formula C7H11BrO2 and a molecular weight of 207.07 g/mol. Its IUPAC name is 3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran
PubChem CID15420743
Molecular FormulaC7H11BrO2
Molecular Weight207.07 g/mol
Exact Mass205.99
IUPAC Name3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran
SMILESCOC1C=CC(Br)C(C)O1
InChIInChI=1S/C7H11BrO2/c1-5-6(8)3-4-7(9-2)10-5/h3-7H,1-2H3
InChIKeyGYDWZUDSIPPJEE-UHFFFAOYSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(5E)-4-(2-bromo-1-ethoxyethoxy)nona-1,5-diene
CID 134936737
(E)-2-(2-bromo-1-ethoxyethoxy)hept-3-ene
CID 134986080
(5E)-2-bromo-4-(methoxymethoxy)hepta-1,5-diene
CID 10263456
(2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran
CID 131854714
2-methoxy-6-methyl-3,6-dihydro-2H-pyran
CID 13989731
2-(4-bromo-2-methylbutan-2-yl)oxy-3,6-dihydro-2H-pyran
CID 18996503
5-Bromo-6-(methoxymethoxy)-5-methylcyclohexa-1,3-diene
CID 141243473
5-Bromo-5-(2,2-diethoxyethoxy)cyclohexa-1,3-diene
CID 141295514
(2S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran
CID 141987648
(Z)-6-bromo-1,1-diethoxyhex-2-ene
CID 146574513
(Z)-6-bromo-1,1-dipropoxyhex-2-ene
CID 146574515
(E)-6-bromo-1,1-dipropoxyhex-2-ene
CID 146574519

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran (CID 15420743) is 3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran is COC1C=CC(Br)C(C)O1.
What is the InChIKey of 3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran?
The InChIKey is GYDWZUDSIPPJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrO2/c1-5-6(8)3-4-7(9-2)10-5/h3-7H,1-2H3.
What are the key properties of 3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran?
3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran has a molecular weight of 207.07 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxy-2-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 15420743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).