5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one

C11H17ClO2 — CID 13416546

IUPAC5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one
SMILESCC(C)=C(Cl)C1CC(C(C)C)C(=O)O1
InChIInChI=1S/C11H17ClO2/c1-6(2)8-5-9(14-11(8)13)10(12)7(3)4/h6,8-9H,5H2,1-4H3
InChIKeyHKQNFRQOXGQWAL-UHFFFAOYSA-N
MW216.71 g/mol
LogP3.11
Rot. Bonds2

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

5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one (PubChem CID 13416546) has the molecular formula C11H17ClO2 and a molecular weight of 216.71 g/mol. Its IUPAC name is 5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one
PubChem CID13416546
Molecular FormulaC11H17ClO2
Molecular Weight216.71 g/mol
Exact Mass216.09
IUPAC Name5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one
SMILESCC(C)=C(Cl)C1CC(C(C)C)C(=O)O1
InChIInChI=1S/C11H17ClO2/c1-6(2)8-5-9(14-11(8)13)10(12)7(3)4/h6,8-9H,5H2,1-4H3
InChIKeyHKQNFRQOXGQWAL-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-methyloxolan-2-one
CID 13416544
5-(1-Chloro-2-methylprop-1-enyl)-3-ethyloxolan-2-one
CID 13416545
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
(3Z)-3-(1-chlorohexylidene)-4-ethyloxolan-2-one
CID 24824157

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one?
The IUPAC name of 5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one (CID 13416546) is 5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one.
What is the SMILES notation for 5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one?
The canonical SMILES for 5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one is CC(C)=C(Cl)C1CC(C(C)C)C(=O)O1.
What is the InChIKey of 5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one?
The InChIKey is HKQNFRQOXGQWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO2/c1-6(2)8-5-9(14-11(8)13)10(12)7(3)4/h6,8-9H,5H2,1-4H3.
What are the key properties of 5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one?
5-(1-chloro-2-methylprop-1-enyl)-3-propan-2-yloxolan-2-one has a molecular weight of 216.71 g/mol, XLogP of 3.11, 2 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-propan-2-yloxolan-2-one is sourced from PubChem (CID 13416546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).