5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one

C14H20O4 — CID 10586909

IUPAC5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one
SMILESCC1=C(CC(O)C2=CCCC2)C(=O)OC(C)(C)O1
InChIInChI=1S/C14H20O4/c1-9-11(13(16)18-14(2,3)17-9)8-12(15)10-6-4-5-7-10/h6,12,15H,4-5,7-8H2,1-3H3
InChIKeyIBAJEAMVSHYMBV-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.43
Rot. Bonds3

About 5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one

5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one (PubChem CID 10586909) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one
PubChem CID10586909
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one
SMILESCC1=C(CC(O)C2=CCCC2)C(=O)OC(C)(C)O1
InChIInChI=1S/C14H20O4/c1-9-11(13(16)18-14(2,3)17-9)8-12(15)10-6-4-5-7-10/h6,12,15H,4-5,7-8H2,1-3H3
InChIKeyIBAJEAMVSHYMBV-UHFFFAOYSA-N
XLogP2.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one 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 5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one?
The IUPAC name of 5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one (CID 10586909) is 5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one?
The canonical SMILES for 5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one is CC1=C(CC(O)C2=CCCC2)C(=O)OC(C)(C)O1.
What is the InChIKey of 5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one?
The InChIKey is IBAJEAMVSHYMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9-11(13(16)18-14(2,3)17-9)8-12(15)10-6-4-5-7-10/h6,12,15H,4-5,7-8H2,1-3H3.
What are the key properties of 5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one?
5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one has a molecular weight of 252.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopenten-1-yl)-2-hydroxyethyl]-2,2,6-trimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 10586909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).