cyclopentyl(3H-dioxol-5-yl)methanone

C9H12O3 — CID 174399596

IUPACcyclopentyl(3H-dioxol-5-yl)methanone
SMILESO=C(C1=CCOO1)C1CCCC1
InChIInChI=1S/C9H12O3/c10-9(7-3-1-2-4-7)8-5-6-11-12-8/h5,7H,1-4,6H2
InChIKeyVZSYAZXOVQVHEU-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.59
Rot. Bonds2

About cyclopentyl(3H-dioxol-5-yl)methanone

cyclopentyl(3H-dioxol-5-yl)methanone (PubChem CID 174399596) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is cyclopentyl(3H-dioxol-5-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(3H-dioxol-5-yl)methanone
PubChem CID174399596
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Namecyclopentyl(3H-dioxol-5-yl)methanone
SMILESO=C(C1=CCOO1)C1CCCC1
InChIInChI=1S/C9H12O3/c10-9(7-3-1-2-4-7)8-5-6-11-12-8/h5,7H,1-4,6H2
InChIKeyVZSYAZXOVQVHEU-UHFFFAOYSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclopentyl(2,3-dihydrofuran-5-yl)methanone
CID 102650876

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(3H-dioxol-5-yl)methanone?
The IUPAC name of cyclopentyl(3H-dioxol-5-yl)methanone (CID 174399596) is cyclopentyl(3H-dioxol-5-yl)methanone.
What is the SMILES notation for cyclopentyl(3H-dioxol-5-yl)methanone?
The canonical SMILES for cyclopentyl(3H-dioxol-5-yl)methanone is O=C(C1=CCOO1)C1CCCC1.
What is the InChIKey of cyclopentyl(3H-dioxol-5-yl)methanone?
The InChIKey is VZSYAZXOVQVHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-9(7-3-1-2-4-7)8-5-6-11-12-8/h5,7H,1-4,6H2.
What are the key properties of cyclopentyl(3H-dioxol-5-yl)methanone?
cyclopentyl(3H-dioxol-5-yl)methanone has a molecular weight of 168.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(3H-dioxol-5-yl)methanone is sourced from PubChem (CID 174399596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).