5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one

C9H13ClO2 — CID 13416544

IUPAC5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one
SMILESCC(C)=C(Cl)C1CC(C)C(=O)O1
InChIInChI=1S/C9H13ClO2/c1-5(2)8(10)7-4-6(3)9(11)12-7/h6-7H,4H2,1-3H3
InChIKeyDEOMCUHKHJDRRR-UHFFFAOYSA-N
MW188.65 g/mol
LogP2.47
Rot. Bonds1

About 5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one

5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one (PubChem CID 13416544) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is 5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one
PubChem CID13416544
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Name5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one
SMILESCC(C)=C(Cl)C1CC(C)C(=O)O1
InChIInChI=1S/C9H13ClO2/c1-5(2)8(10)7-4-6(3)9(11)12-7/h6-7H,4H2,1-3H3
InChIKeyDEOMCUHKHJDRRR-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-5-(2-methylprop-1-en-1-yl)oxolan-2-one
CID 70210058
5-[(E)-1,2-dichlorobut-1-enyl]-4,4-dimethyloxolan-2-one
CID 145802210
4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one
CID 11183837
2-butyl-3-chloro-4-propyl-2H-furan-5-one
CID 11356381
5-(1-Chloro-2-methylprop-1-enyl)oxolan-2-one
CID 13416543
5-(1-Chloro-2-methylprop-1-enyl)-3-ethyloxolan-2-one
CID 13416545
5-(1-Chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one
CID 13416546
5-(1-Chloro-2-methylprop-1-enyl)-3,3-dimethyloxolan-2-one
CID 13416547
5-(1-Chloro-2-methylprop-1-enyl)-3-ethyl-3-methyloxolan-2-one
CID 13416548
5-(1-Chloro-2-methylprop-1-enyl)-3,3-diethyloxolan-2-one
CID 13416549
5-(1-Chloro-2-methylprop-1-enyl)-3,3,5-trimethyloxolan-2-one
CID 13416551
5-[(Z)-1-chloroprop-1-enyl]-3,3-dimethyloxolan-2-one
CID 13416553

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one?
The IUPAC name of 5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one (CID 13416544) is 5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one.
What is the SMILES notation for 5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one?
The canonical SMILES for 5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one is CC(C)=C(Cl)C1CC(C)C(=O)O1.
What is the InChIKey of 5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one?
The InChIKey is DEOMCUHKHJDRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClO2/c1-5(2)8(10)7-4-6(3)9(11)12-7/h6-7H,4H2,1-3H3.
What are the key properties of 5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one?
5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one has a molecular weight of 188.65 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloro-2-methylprop-1-enyl)-3-methyloxolan-2-one is sourced from PubChem (CID 13416544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).