3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol

C15H24O3S — CID 10779438

IUPAC3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol
SMILESCC(C)(C)C(O)(c1scc2c1OCCO2)C(C)(C)C
InChIInChI=1S/C15H24O3S/c1-13(2,3)15(16,14(4,5)6)12-11-10(9-19-12)17-7-8-18-11/h9,16H,7-8H2,1-6H3
InChIKeyMPPMBXCFKXMXAH-UHFFFAOYSA-N
MW284.42 g/mol
LogP3.80
Rot. Bonds1

About 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol

3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol (PubChem CID 10779438) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol.

Molecular Properties

Compound Name3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol
PubChem CID10779438
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol
SMILESCC(C)(C)C(O)(c1scc2c1OCCO2)C(C)(C)C
InChIInChI=1S/C15H24O3S/c1-13(2,3)15(16,14(4,5)6)12-11-10(9-19-12)17-7-8-18-11/h9,16H,7-8H2,1-6H3
InChIKeyMPPMBXCFKXMXAH-UHFFFAOYSA-N
XLogP3.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol?
The IUPAC name of 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol (CID 10779438) is 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol.
What is the SMILES notation for 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol?
The canonical SMILES for 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol is CC(C)(C)C(O)(c1scc2c1OCCO2)C(C)(C)C.
What is the InChIKey of 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol?
The InChIKey is MPPMBXCFKXMXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c1-13(2,3)15(16,14(4,5)6)12-11-10(9-19-12)17-7-8-18-11/h9,16H,7-8H2,1-6H3.
What are the key properties of 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol?
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol has a molecular weight of 284.42 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol is sourced from PubChem (CID 10779438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).