5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one

C8H11ClO2 — CID 13416543

IUPAC5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one
SMILESCC(C)=C(Cl)C1CCC(=O)O1
InChIInChI=1S/C8H11ClO2/c1-5(2)8(9)6-3-4-7(10)11-6/h6H,3-4H2,1-2H3
InChIKeyBURBVWFZTBHGEK-UHFFFAOYSA-N
MW174.63 g/mol
LogP2.22
Rot. Bonds1

About 5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one

5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one (PubChem CID 13416543) has the molecular formula C8H11ClO2 and a molecular weight of 174.63 g/mol. Its IUPAC name is 5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one.

Molecular Properties

Compound Name5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one
PubChem CID13416543
Molecular FormulaC8H11ClO2
Molecular Weight174.63 g/mol
Exact Mass174.04
IUPAC Name5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one
SMILESCC(C)=C(Cl)C1CCC(=O)O1
InChIInChI=1S/C8H11ClO2/c1-5(2)8(9)6-3-4-7(10)11-6/h6H,3-4H2,1-2H3
InChIKeyBURBVWFZTBHGEK-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one?
The IUPAC name of 5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one (CID 13416543) is 5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one.
What is the SMILES notation for 5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one?
The canonical SMILES for 5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one is CC(C)=C(Cl)C1CCC(=O)O1.
What is the InChIKey of 5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one?
The InChIKey is BURBVWFZTBHGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO2/c1-5(2)8(9)6-3-4-7(10)11-6/h6H,3-4H2,1-2H3.
What are the key properties of 5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one?
5-(1-chloro-2-methylprop-1-enyl)oxolan-2-one has a molecular weight of 174.63 g/mol, XLogP of 2.22, 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)oxolan-2-one is sourced from PubChem (CID 13416543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).