(4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one

C5H5ClO3 — CID 129363477

IUPAC(4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)O[C@]1(C)Cl
InChIInChI=1S/C5H5ClO3/c1-3-5(2,6)9-4(7)8-3/h1H2,2H3/t5-/m0/s1
InChIKeyDHRYDCOBLQUKRM-YFKPBYRVSA-N
MW148.54 g/mol
LogP1.62
Rot. Bonds

About (4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one

(4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one (PubChem CID 129363477) has the molecular formula C5H5ClO3 and a molecular weight of 148.54 g/mol. Its IUPAC name is (4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one
PubChem CID129363477
Molecular FormulaC5H5ClO3
Molecular Weight148.54 g/mol
Exact Mass147.99
IUPAC Name(4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)O[C@]1(C)Cl
InChIInChI=1S/C5H5ClO3/c1-3-5(2,6)9-4(7)8-3/h1H2,2H3/t5-/m0/s1
InChIKeyDHRYDCOBLQUKRM-YFKPBYRVSA-N
XLogP1.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.54
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methylidene-4-(2-methylpropyl)-4-propan-2-yl-1,3-dioxolan-2-one
CID 134949090
(4R)-4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one
CID 715850
4-(2-methoxy-2-methylsulfanylethyl)-4-methyl-5-methylidene-1,3-dioxolan-2-one
CID 134378939
4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 19814300
1,7-dimethyl-2,4,6-trioxabicyclo[5.2.0]non-8-ene-3,5-dione
CID 88785660
3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl acetate
CID 138516686
2,2,4,4-tetramethyl-5-methylidene-1,3-dioxolane
CID 12741657
4-chloro-4-methyl-1,3-dioxan-2-one
CID 154202045
4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one
CID 71434733
3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl formate;3-(4-methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)propyl prop-2-enoate;methyl prop-2-enoate
CID 162145810
4,4-dimethyl-6-propan-2-yl-1,3-dioxin-2-one
CID 69479764
4-ethyl-4-methyl-3-methylideneoxetan-2-one
CID 15082531

Frequently Asked Questions

What is the IUPAC name of (4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one?
The IUPAC name of (4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one (CID 129363477) is (4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one.
What is the SMILES notation for (4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one?
The canonical SMILES for (4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one is C=C1OC(=O)O[C@]1(C)Cl.
What is the InChIKey of (4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one?
The InChIKey is DHRYDCOBLQUKRM-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H5ClO3/c1-3-5(2,6)9-4(7)8-3/h1H2,2H3/t5-/m0/s1.
What are the key properties of (4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one?
(4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one has a molecular weight of 148.54 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-chloro-4-methyl-5-methylidene-1,3-dioxolan-2-one is sourced from PubChem (CID 129363477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).