4-methyl-2-thiophen-2-yl-1,3-dioxolane

C8H10O2S — CID 11708132

IUPAC4-methyl-2-thiophen-2-yl-1,3-dioxolane
SMILESCC1COC(c2cccs2)O1
InChIInChI=1S/C8H10O2S/c1-6-5-9-8(10-6)7-3-2-4-11-7/h2-4,6,8H,5H2,1H3
InChIKeyVPRPYTDOMNSXBH-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.18
Rot. Bonds1

About 4-methyl-2-thiophen-2-yl-1,3-dioxolane

4-methyl-2-thiophen-2-yl-1,3-dioxolane (PubChem CID 11708132) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-yl-1,3-dioxolane
PubChem CID11708132
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name4-methyl-2-thiophen-2-yl-1,3-dioxolane
SMILESCC1COC(c2cccs2)O1
InChIInChI=1S/C8H10O2S/c1-6-5-9-8(10-6)7-3-2-4-11-7/h2-4,6,8H,5H2,1H3
InChIKeyVPRPYTDOMNSXBH-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-2-(diethoxymethyl)thiophene
CID 7022388
1,3-Dioxolane-4-methanol, 2-methyl-2-(2-thienyl)-
CID 20373
(Acetyloxy)(thiophen-2-yl)methyl acetate
CID 2797620
Thienylethanol acetate
CID 3023725
2-Acetylthiophene ethylene acetal
CID 7010305
2-Dimethoxymethyl-thiophene
CID 11819307
2-(4-Iodothiophen-2-yl)-1,3-dioxolane
CID 137951453
5-(1,3-Dioxolan-2-yl)thiophene-3-sulfonyl chloride
CID 138039734
2-[2,2-Difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene
CID 134996287
1-(2-Thienyl)allyl Acetate
CID 11286846
2-(1,1-Dimethoxyethyl)thiophene
CID 11446598
2-[(2-Methylpropan-2-yl)oxymethyl]thiophene
CID 11788536

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-2-yl-1,3-dioxolane?
The IUPAC name of 4-methyl-2-thiophen-2-yl-1,3-dioxolane (CID 11708132) is 4-methyl-2-thiophen-2-yl-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-thiophen-2-yl-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-thiophen-2-yl-1,3-dioxolane is CC1COC(c2cccs2)O1.
What is the InChIKey of 4-methyl-2-thiophen-2-yl-1,3-dioxolane?
The InChIKey is VPRPYTDOMNSXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-6-5-9-8(10-6)7-3-2-4-11-7/h2-4,6,8H,5H2,1H3.
What are the key properties of 4-methyl-2-thiophen-2-yl-1,3-dioxolane?
4-methyl-2-thiophen-2-yl-1,3-dioxolane has a molecular weight of 170.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiophen-2-yl-1,3-dioxolane is sourced from PubChem (CID 11708132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).