5-(5-chloropentyl)-5-methylfuran-2-one

C10H15ClO2 — CID 11830502

IUPAC5-(5-chloropentyl)-5-methylfuran-2-one
SMILESCC1(CCCCCCl)C=CC(=O)O1
InChIInChI=1S/C10H15ClO2/c1-10(6-3-2-4-8-11)7-5-9(12)13-10/h5,7H,2-4,6,8H2,1H3
InChIKeyVNNHCRDQFONRLF-UHFFFAOYSA-N
MW202.68 g/mol
LogP2.66
Rot. Bonds5

About 5-(5-chloropentyl)-5-methylfuran-2-one

5-(5-chloropentyl)-5-methylfuran-2-one (PubChem CID 11830502) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is 5-(5-chloropentyl)-5-methylfuran-2-one.

Molecular Properties

Compound Name5-(5-chloropentyl)-5-methylfuran-2-one
PubChem CID11830502
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name5-(5-chloropentyl)-5-methylfuran-2-one
SMILESCC1(CCCCCCl)C=CC(=O)O1
InChIInChI=1S/C10H15ClO2/c1-10(6-3-2-4-8-11)7-5-9(12)13-10/h5,7H,2-4,6,8H2,1H3
InChIKeyVNNHCRDQFONRLF-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 176901712
CID 176901712
2-(3-chloropropyl)-2-methyl-3H-pyran-6-one
CID 10954310
5-(3-Chloropropyl)-5-methylfuran-2-one
CID 10997553
5-Methyl-5-pentylfuran-2-one
CID 11008319
5-(3-Chloropropyl)-3,5-dimethylfuran-2-one
CID 11030584
5-(3-Chloropropyl)-4,5-dimethylfuran-2-one
CID 11116811
5-(4-Chlorobutyl)-5-methylfuran-2-one
CID 11830196

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropentyl)-5-methylfuran-2-one?
The IUPAC name of 5-(5-chloropentyl)-5-methylfuran-2-one (CID 11830502) is 5-(5-chloropentyl)-5-methylfuran-2-one.
What is the SMILES notation for 5-(5-chloropentyl)-5-methylfuran-2-one?
The canonical SMILES for 5-(5-chloropentyl)-5-methylfuran-2-one is CC1(CCCCCCl)C=CC(=O)O1.
What is the InChIKey of 5-(5-chloropentyl)-5-methylfuran-2-one?
The InChIKey is VNNHCRDQFONRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-10(6-3-2-4-8-11)7-5-9(12)13-10/h5,7H,2-4,6,8H2,1H3.
What are the key properties of 5-(5-chloropentyl)-5-methylfuran-2-one?
5-(5-chloropentyl)-5-methylfuran-2-one has a molecular weight of 202.68 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropentyl)-5-methylfuran-2-one is sourced from PubChem (CID 11830502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).