2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane

C10H12O4S — CID 15306150

IUPAC2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane
SMILESc1cc(C2OCCO2)c(C2OCCO2)s1
InChIInChI=1S/C10H12O4S/c1-6-15-8(10-13-4-5-14-10)7(1)9-11-2-3-12-9/h1,6,9-10H,2-5H2
InChIKeySWHCYTRINAKJGN-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.84
Rot. Bonds2

About 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane

2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane (PubChem CID 15306150) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane
PubChem CID15306150
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane
SMILESc1cc(C2OCCO2)c(C2OCCO2)s1
InChIInChI=1S/C10H12O4S/c1-6-15-8(10-13-4-5-14-10)7(1)9-11-2-3-12-9/h1,6,9-10H,2-5H2
InChIKeySWHCYTRINAKJGN-UHFFFAOYSA-N
XLogP1.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Acetylthiophene ethylene acetal
CID 7010305
2-(4-Iodothiophen-2-yl)-1,3-dioxolane
CID 137951453
2-[[3-(1,3-Dioxolan-2-yl)thiophen-2-yl]methylidene]propanedinitrile
CID 2739604
2-(Diethoxymethyl)thiophene
CID 12280018
2-Methyl-2-(thiophen-3-yl)-1,3-dioxolane
CID 13710960
2-Thieno[2,3-b]thiophen-5-yl-1,3-dioxolane
CID 14460452
(3aR,5R,6S,6aR)-2-(fluoromethyl)-2-methyl-6-[(2-methylthiophen-3-yl)methoxy]-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597748
(3aR,5R,6S,6aR)-5-ethyl-2-(fluoromethyl)-2-methyl-6-[(2-methylthiophen-3-yl)methoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597750
(3aR,5R,6S,6aR)-5-butyl-2-(fluoromethyl)-2-methyl-6-[(2-methylthiophen-3-yl)methoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597751
(3aR,5R,6S,6aR)-2-ethyl-6-[(3-fluorothiophen-2-yl)methoxy]-2,5-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597783
(3aR,5R,6S,6aR)-6-[(3-fluorothiophen-2-yl)methoxy]-2,5-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597848
(3aR,5R,6S,6aR)-6-[(3-fluorothiophen-2-yl)methoxy]-2,2,5-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597879

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane?
The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane (CID 15306150) is 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane is c1cc(C2OCCO2)c(C2OCCO2)s1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane?
The InChIKey is SWHCYTRINAKJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S/c1-6-15-8(10-13-4-5-14-10)7(1)9-11-2-3-12-9/h1,6,9-10H,2-5H2.
What are the key properties of 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane?
2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane has a molecular weight of 228.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxolan-2-yl)thiophen-3-yl]-1,3-dioxolane is sourced from PubChem (CID 15306150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).