(4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one

C7H9BrO2 — CID 141354266

IUPAC(4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OC[C@@H]1CCBr
InChIInChI=1S/C7H9BrO2/c1-5-6(2-3-8)4-10-7(5)9/h6H,1-4H2/t6-/m0/s1
InChIKeyDFHZLZOYEQADJT-LURJTMIESA-N
MW205.05 g/mol
LogP1.50
Rot. Bonds2

About (4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one

(4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one (PubChem CID 141354266) has the molecular formula C7H9BrO2 and a molecular weight of 205.05 g/mol. Its IUPAC name is (4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one
PubChem CID141354266
Molecular FormulaC7H9BrO2
Molecular Weight205.05 g/mol
Exact Mass203.98
IUPAC Name(4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OC[C@@H]1CCBr
InChIInChI=1S/C7H9BrO2/c1-5-6(2-3-8)4-10-7(5)9/h6H,1-4H2/t6-/m0/s1
InChIKeyDFHZLZOYEQADJT-LURJTMIESA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(Bromomethyl)-5-methyl-3-methylideneoxolan-2-one
CID 148561770
(4S,5R)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789118
(4R,5S)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789119
4,5-Dimethyl-3-methylideneoxolan-2-one
CID 12789117
2-[(4Z)-4-(bromomethylidene)-5-oxooxolan-3-yl]acetaldehyde
CID 15331447
InChI=1/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h4,6H,2H2,1,3H3/t4-,6-/m1/s
CID 5324907
(3E)-4-(bromomethyl)-3-(bromomethylidene)oxolan-2-one
CID 10015934
(4R)-4-ethyl-3-methylideneoxolan-2-one
CID 131854393
4-Ethyl-3-methylideneoxolan-2-one
CID 13586119
3-Methylidene-4-prop-2-enyloxolan-2-one
CID 69084539
3-(3-Bromoprop-1-en-2-yl)oxolan-2-one
CID 139503612
(4S)-4-(2-bromoethyl)-3-methylideneoxolan-2-one
CID 141354264

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one?
The IUPAC name of (4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one (CID 141354266) is (4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one.
What is the SMILES notation for (4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one?
The canonical SMILES for (4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one is C=C1C(=O)OC[C@@H]1CCBr.
What is the InChIKey of (4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one?
The InChIKey is DFHZLZOYEQADJT-LURJTMIESA-N. The full InChI is InChI=1S/C7H9BrO2/c1-5-6(2-3-8)4-10-7(5)9/h6H,1-4H2/t6-/m0/s1.
What are the key properties of (4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one?
(4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one has a molecular weight of 205.05 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-bromoethyl)-3-methylideneoxolan-2-one is sourced from PubChem (CID 141354266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).