2-(bromomethyl)-1,3-dioxolane;phosphane

C4H10BrO2P — CID 146464767

IUPAC2-(bromomethyl)-1,3-dioxolane;phosphane
SMILESBrCC1OCCO1.P
InChIInChI=1S/C4H7BrO2.H3P/c5-3-4-6-1-2-7-4;/h4H,1-3H2;1H3
InChIKeyJBOYNRDLHWFJLU-UHFFFAOYSA-N
MW201.00 g/mol
LogP0.81
Rot. Bonds1

About 2-(bromomethyl)-1,3-dioxolane;phosphane

2-(bromomethyl)-1,3-dioxolane;phosphane (PubChem CID 146464767) has the molecular formula C4H10BrO2P and a molecular weight of 201.00 g/mol. Its IUPAC name is 2-(bromomethyl)-1,3-dioxolane;phosphane.

Molecular Properties

Compound Name2-(bromomethyl)-1,3-dioxolane;phosphane
PubChem CID146464767
Molecular FormulaC4H10BrO2P
Molecular Weight201.00 g/mol
Exact Mass199.96
IUPAC Name2-(bromomethyl)-1,3-dioxolane;phosphane
SMILESBrCC1OCCO1.P
InChIInChI=1S/C4H7BrO2.H3P/c5-3-4-6-1-2-7-4;/h4H,1-3H2;1H3
InChIKeyJBOYNRDLHWFJLU-UHFFFAOYSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.00
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-1,3-dioxolane;chloromethane;phenoxybenzene
CID 143933598
2-(bromomethyl)-1,3-dioxolane;phenol;2-(phenoxymethyl)-1,3-dioxolane
CID 122423293
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
2-[2-(2-bromoethoxy)ethoxymethyl]-1,3-dioxolane
CID 170898213
2-(3-bromopropyl)-1,3-dioxolane;2-butyl-1,3-dioxolane
CID 169430441
2-(1,3-dioxolan-2-yl)ethylphosphane
CID 67730766
(4S)-2-(bromomethyl)-4-methyl-1,3-dioxolane
CID 130671884
(2S,4R)-2-(bromomethyl)-4-methyl-1,3-dioxolane
CID 21122318
2-(3-bromobut-3-enyl)-1,3-dioxolane
CID 552140
2-(nitrosomethyl)-1,3-dioxolane
CID 142134214
2-prop-2-enyl-(213C)1,3-dioxolane
CID 173279538
2-(1,3-dioxolan-2-ylmethyl)propane-1,3-diol
CID 54397027

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1,3-dioxolane;phosphane?
The IUPAC name of 2-(bromomethyl)-1,3-dioxolane;phosphane (CID 146464767) is 2-(bromomethyl)-1,3-dioxolane;phosphane.
What is the SMILES notation for 2-(bromomethyl)-1,3-dioxolane;phosphane?
The canonical SMILES for 2-(bromomethyl)-1,3-dioxolane;phosphane is BrCC1OCCO1.P.
What is the InChIKey of 2-(bromomethyl)-1,3-dioxolane;phosphane?
The InChIKey is JBOYNRDLHWFJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrO2.H3P/c5-3-4-6-1-2-7-4;/h4H,1-3H2;1H3.
What are the key properties of 2-(bromomethyl)-1,3-dioxolane;phosphane?
2-(bromomethyl)-1,3-dioxolane;phosphane has a molecular weight of 201.00 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1,3-dioxolane;phosphane is sourced from PubChem (CID 146464767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).