5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C18H24O4S2 — CID 129140393

IUPAC5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC(C)c1sc(C2=C3OCCOC3C(C(C)C)S2)c2c1OCCO2
InChIInChI=1S/C18H24O4S2/c1-9(2)15-11-13(21-7-5-19-11)17(23-15)18-14-12(20-6-8-22-14)16(24-18)10(3)4/h9-11,15H,5-8H2,1-4H3
InChIKeyBSZRIKDXEGFGFT-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.50
Rot. Bonds3

About 5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 129140393) has the molecular formula C18H24O4S2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID129140393
Molecular FormulaC18H24O4S2
Molecular Weight368.52 g/mol
Exact Mass368.11
IUPAC Name5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC(C)c1sc(C2=C3OCCOC3C(C(C)C)S2)c2c1OCCO2
InChIInChI=1S/C18H24O4S2/c1-9(2)15-11-13(21-7-5-19-11)17(23-15)18-14-12(20-6-8-22-14)16(24-18)10(3)4/h9-11,15H,5-8H2,1-4H3
InChIKeyBSZRIKDXEGFGFT-UHFFFAOYSA-N
XLogP4.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 129140393) is 5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is CC(C)c1sc(C2=C3OCCOC3C(C(C)C)S2)c2c1OCCO2.
What is the InChIKey of 5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is BSZRIKDXEGFGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4S2/c1-9(2)15-11-13(21-7-5-19-11)17(23-15)18-14-12(20-6-8-22-14)16(24-18)10(3)4/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 368.52 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7-(7-propan-2-yl-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 129140393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).