(4R)-4-(bromomethyl)-1,3-dioxane

C5H9BrO2 — CID 97184612

IUPAC(4R)-4-(bromomethyl)-1,3-dioxane
SMILESBrC[C@H]1CCOCO1
InChIInChI=1S/C5H9BrO2/c6-3-5-1-2-7-4-8-5/h5H,1-4H2/t5-/m1/s1
InChIKeyDRYWJFPCWJYCEW-RXMQYKEDSA-N
MW181.03 g/mol
LogP1.14
Rot. Bonds1

About (4R)-4-(bromomethyl)-1,3-dioxane

(4R)-4-(bromomethyl)-1,3-dioxane (PubChem CID 97184612) has the molecular formula C5H9BrO2 and a molecular weight of 181.03 g/mol. Its IUPAC name is (4R)-4-(bromomethyl)-1,3-dioxane.

Molecular Properties

Compound Name(4R)-4-(bromomethyl)-1,3-dioxane
PubChem CID97184612
Molecular FormulaC5H9BrO2
Molecular Weight181.03 g/mol
Exact Mass179.98
IUPAC Name(4R)-4-(bromomethyl)-1,3-dioxane
SMILESBrC[C@H]1CCOCO1
InChIInChI=1S/C5H9BrO2/c6-3-5-1-2-7-4-8-5/h5H,1-4H2/t5-/m1/s1
InChIKeyDRYWJFPCWJYCEW-RXMQYKEDSA-N
XLogP1.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.03
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-(1,3-dioxan-4-ylmethyl)methanamine
CID 81101660
(2S)-2-(bromomethyl)oxane
CID 13022883
N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
2-(1,3-dioxan-4-ylmethyl)-1,1-dimethylhydrazine
CID 83015082
4-hexadecyl-1,3-dioxane
CID 154382426
N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine
CID 130677377
N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine
CID 83021019
N-(1,3-dioxan-4-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 81102186
1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine
CID 130160141
N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 81102550
ethane;4-methyl-1,3-dioxane
CID 91314442
4-bromo-N-(1,3-dioxan-4-ylmethyl)aniline
CID 78997204

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(bromomethyl)-1,3-dioxane?
The IUPAC name of (4R)-4-(bromomethyl)-1,3-dioxane (CID 97184612) is (4R)-4-(bromomethyl)-1,3-dioxane.
What is the SMILES notation for (4R)-4-(bromomethyl)-1,3-dioxane?
The canonical SMILES for (4R)-4-(bromomethyl)-1,3-dioxane is BrC[C@H]1CCOCO1.
What is the InChIKey of (4R)-4-(bromomethyl)-1,3-dioxane?
The InChIKey is DRYWJFPCWJYCEW-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H9BrO2/c6-3-5-1-2-7-4-8-5/h5H,1-4H2/t5-/m1/s1.
What are the key properties of (4R)-4-(bromomethyl)-1,3-dioxane?
(4R)-4-(bromomethyl)-1,3-dioxane has a molecular weight of 181.03 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(bromomethyl)-1,3-dioxane is sourced from PubChem (CID 97184612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).