(3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone

C₁₃H₁₅ClO₃S — CID 115787851

About (3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone

(3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone (PubChem CID 115787851) has the molecular formula C₁₃H₁₅ClO₃S and a molecular weight of 286.78 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

• Compound Name: (3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
• PubChem CID: 115787851
• Molecular Formula: C₁₃H₁₅ClO₃S
• Molecular Weight: 286.78 g/mol
• Exact Mass: 286.04
• IUPAC Name: (3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
• SMILES: O=C(c1sccc1Cl)C1CCOC2(CCOC2)C1
• InChI: InChI=1S/C13H15ClO3S/c14-10-2-6-18-12(10)11(15)9-1-4-17-13(7-9)3-5-16-8-13/h2,6,9H,1,3-5,7-8H2
• InChIKey: QNOJOWQXFBILCS-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 35.53 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.78
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone?

The IUPAC name of (3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone (CID 115787851) is (3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone.

What is the SMILES notation for (3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone?

The canonical SMILES for (3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone is O=C(c1sccc1Cl)C1CCOC2(CCOC2)C1.

What is the InChIKey of (3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone?

The InChIKey is QNOJOWQXFBILCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3S/c14-10-2-6-18-12(10)11(15)9-1-4-17-13(7-9)3-5-16-8-13/h2,6,9H,1,3-5,7-8H2.

What are the key properties of (3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone?

(3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone has a molecular weight of 286.78 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chlorothiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 115787851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115787851 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.