2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane

C19H26O2S2 — CID 58150365

IUPAC2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane
SMILESCC(C)c1sccc1CC1(Cc2ccsc2C(C)C)OCCO1
InChIInChI=1S/C19H26O2S2/c1-13(2)17-15(5-9-22-17)11-19(20-7-8-21-19)12-16-6-10-23-18(16)14(3)4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3
InChIKeyZOOUIZBZEZFBRC-UHFFFAOYSA-N
MW350.55 g/mol
LogP5.58
Rot. Bonds6

About 2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane

2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane (PubChem CID 58150365) has the molecular formula C19H26O2S2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane
PubChem CID58150365
Molecular FormulaC19H26O2S2
Molecular Weight350.55 g/mol
Exact Mass350.14
IUPAC Name2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane
SMILESCC(C)c1sccc1CC1(Cc2ccsc2C(C)C)OCCO1
InChIInChI=1S/C19H26O2S2/c1-13(2)17-15(5-9-22-17)11-19(20-7-8-21-19)12-16-6-10-23-18(16)14(3)4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3
InChIKeyZOOUIZBZEZFBRC-UHFFFAOYSA-N
XLogP5.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane?
The IUPAC name of 2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane (CID 58150365) is 2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane?
The canonical SMILES for 2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane is CC(C)c1sccc1CC1(Cc2ccsc2C(C)C)OCCO1.
What is the InChIKey of 2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane?
The InChIKey is ZOOUIZBZEZFBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2S2/c1-13(2)17-15(5-9-22-17)11-19(20-7-8-21-19)12-16-6-10-23-18(16)14(3)4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3.
What are the key properties of 2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane?
2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane has a molecular weight of 350.55 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane is sourced from PubChem (CID 58150365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).