cyclopenten-1-yl(1,4-dioxan-2-yl)methanone

C10H14O3 — CID 62800074

IUPACcyclopenten-1-yl(1,4-dioxan-2-yl)methanone
SMILESO=C(C1=CCCC1)C1COCCO1
InChIInChI=1S/C10H14O3/c11-10(8-3-1-2-4-8)9-7-12-5-6-13-9/h3,9H,1-2,4-7H2
InChIKeyXUFZUSHXCPUDCP-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.08
Rot. Bonds2

About cyclopenten-1-yl(1,4-dioxan-2-yl)methanone

cyclopenten-1-yl(1,4-dioxan-2-yl)methanone (PubChem CID 62800074) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is cyclopenten-1-yl(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl(1,4-dioxan-2-yl)methanone
PubChem CID62800074
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namecyclopenten-1-yl(1,4-dioxan-2-yl)methanone
SMILESO=C(C1=CCCC1)C1COCCO1
InChIInChI=1S/C10H14O3/c11-10(8-3-1-2-4-8)9-7-12-5-6-13-9/h3,9H,1-2,4-7H2
InChIKeyXUFZUSHXCPUDCP-UHFFFAOYSA-N
XLogP1.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopenten-1-yl(1,4-dioxan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl(1,4-dioxan-2-yl)methanone?
The IUPAC name of cyclopenten-1-yl(1,4-dioxan-2-yl)methanone (CID 62800074) is cyclopenten-1-yl(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl(1,4-dioxan-2-yl)methanone?
The canonical SMILES for cyclopenten-1-yl(1,4-dioxan-2-yl)methanone is O=C(C1=CCCC1)C1COCCO1.
What is the InChIKey of cyclopenten-1-yl(1,4-dioxan-2-yl)methanone?
The InChIKey is XUFZUSHXCPUDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-10(8-3-1-2-4-8)9-7-12-5-6-13-9/h3,9H,1-2,4-7H2.
What are the key properties of cyclopenten-1-yl(1,4-dioxan-2-yl)methanone?
cyclopenten-1-yl(1,4-dioxan-2-yl)methanone has a molecular weight of 182.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 62800074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).