3-chloro-4-methoxyoxolan-2-one

C5H7ClO3 — CID 139845813

IUPAC3-chloro-4-methoxyoxolan-2-one
SMILESCOC1COC(=O)C1Cl
InChIInChI=1S/C5H7ClO3/c1-8-3-2-9-5(7)4(3)6/h3-4H,2H2,1H3
InChIKeyZLXMLMNHTOTARL-UHFFFAOYSA-N
MW150.56 g/mol
LogP0.17
Rot. Bonds1

About 3-chloro-4-methoxyoxolan-2-one

3-chloro-4-methoxyoxolan-2-one (PubChem CID 139845813) has the molecular formula C5H7ClO3 and a molecular weight of 150.56 g/mol. Its IUPAC name is 3-chloro-4-methoxyoxolan-2-one.

Molecular Properties

Compound Name3-chloro-4-methoxyoxolan-2-one
PubChem CID139845813
Molecular FormulaC5H7ClO3
Molecular Weight150.56 g/mol
Exact Mass150.01
IUPAC Name3-chloro-4-methoxyoxolan-2-one
SMILESCOC1COC(=O)C1Cl
InChIInChI=1S/C5H7ClO3/c1-8-3-2-9-5(7)4(3)6/h3-4H,2H2,1H3
InChIKeyZLXMLMNHTOTARL-UHFFFAOYSA-N
XLogP0.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 50.17
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

(4-chloro-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 20627264
(4-chloro-5-oxooxolan-3-yl) 2-methylbutanoate
CID 22082246
8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 58868408
(3R,7E,9S,10R,14R)-10-methoxy-3,9,14-trimethyl-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione
CID 6419663
CID 167346588
CID 167346588
(4E,6R,7S,11S,18E,20R,21S,25S)-7,21-dimethoxy-6,20-dimethyl-9,23-dioxa-1,15-diazatricyclo[23.3.0.011,15]octacosa-4,18-diene-2,10,16,24-tetrone
CID 6419645
(5S)-3-methoxy-5-propan-2-ylmorpholin-2-one
CID 10797303
methyl (2E)-2-[(3S,4R)-3,4-dimethoxyoxolan-2-ylidene]acetate
CID 11788906
methyl (2Z)-2-[(3S,4R)-3,4-dimethoxyoxolan-2-ylidene]acetate
CID 11148362
(3S,7E,9R,10S,14S,18E,20R)-3-benzyl-10,21-dimethoxy-9,14,20-trimethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone
CID 126480079
3,4-dimethyloxolan-2-one
CID 15090448
4-chloro-3-methoxyoxane
CID 130632423

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxyoxolan-2-one?
The IUPAC name of 3-chloro-4-methoxyoxolan-2-one (CID 139845813) is 3-chloro-4-methoxyoxolan-2-one.
What is the SMILES notation for 3-chloro-4-methoxyoxolan-2-one?
The canonical SMILES for 3-chloro-4-methoxyoxolan-2-one is COC1COC(=O)C1Cl.
What is the InChIKey of 3-chloro-4-methoxyoxolan-2-one?
The InChIKey is ZLXMLMNHTOTARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO3/c1-8-3-2-9-5(7)4(3)6/h3-4H,2H2,1H3.
What are the key properties of 3-chloro-4-methoxyoxolan-2-one?
3-chloro-4-methoxyoxolan-2-one has a molecular weight of 150.56 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxyoxolan-2-one is sourced from PubChem (CID 139845813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).