3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane

C8H13ClO3 — CID 5363836

IUPAC3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane
SMILESCC/C(Cl)=C(/C)C1(C)OCOO1
InChIInChI=1S/C8H13ClO3/c1-4-7(9)6(2)8(3)10-5-11-12-8/h4-5H2,1-3H3/b7-6+
InChIKeyYKGFHVDPMFKAJI-VOTSOKGWSA-N
MW192.64 g/mol
LogP2.56
Rot. Bonds2

About 3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane

3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane (PubChem CID 5363836) has the molecular formula C8H13ClO3 and a molecular weight of 192.64 g/mol. Its IUPAC name is 3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane.

Molecular Properties

Compound Name3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane
PubChem CID5363836
Molecular FormulaC8H13ClO3
Molecular Weight192.64 g/mol
Exact Mass192.06
IUPAC Name3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane
SMILESCC/C(Cl)=C(/C)C1(C)OCOO1
InChIInChI=1S/C8H13ClO3/c1-4-7(9)6(2)8(3)10-5-11-12-8/h4-5H2,1-3H3/b7-6+
InChIKeyYKGFHVDPMFKAJI-VOTSOKGWSA-N
XLogP2.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.64
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane?
The IUPAC name of 3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane (CID 5363836) is 3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane.
What is the SMILES notation for 3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane?
The canonical SMILES for 3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane is CC/C(Cl)=C(/C)C1(C)OCOO1.
What is the InChIKey of 3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane?
The InChIKey is YKGFHVDPMFKAJI-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H13ClO3/c1-4-7(9)6(2)8(3)10-5-11-12-8/h4-5H2,1-3H3/b7-6+.
What are the key properties of 3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane?
3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane has a molecular weight of 192.64 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-chloropent-2-en-2-yl]-3-methyl-1,2,4-trioxolane is sourced from PubChem (CID 5363836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).