2-propyl-2-thiophen-2-yl-1,3-dioxolane

C10H14O2S — CID 83957583

IUPAC2-propyl-2-thiophen-2-yl-1,3-dioxolane
SMILESCCCC1(c2cccs2)OCCO1
InChIInChI=1S/C10H14O2S/c1-2-5-10(11-6-7-12-10)9-4-3-8-13-9/h3-4,8H,2,5-7H2,1H3
InChIKeySSQJZWDYMKPMEZ-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.75
Rot. Bonds3

About 2-propyl-2-thiophen-2-yl-1,3-dioxolane

2-propyl-2-thiophen-2-yl-1,3-dioxolane (PubChem CID 83957583) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-propyl-2-thiophen-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-propyl-2-thiophen-2-yl-1,3-dioxolane
PubChem CID83957583
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-propyl-2-thiophen-2-yl-1,3-dioxolane
SMILESCCCC1(c2cccs2)OCCO1
InChIInChI=1S/C10H14O2S/c1-2-5-10(11-6-7-12-10)9-4-3-8-13-9/h3-4,8H,2,5-7H2,1H3
InChIKeySSQJZWDYMKPMEZ-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromoethyl)-2-thiophen-2-yl-1,3-dioxolane
CID 71623753
2-methyl-2-thiophen-2-yl-1,4-dioxane
CID 140537757
1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine
CID 65005147
3-propyl-3-(2-thiophen-2-ylethyl)azetidine
CID 79452456
2-propyl-2-thiophen-2-ylazepane
CID 79116814
1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol
CID 135017669
2-propyl-1-thiophen-2-ylcyclopropan-1-ol
CID 79332590
2-(4-thiophen-2-yloxan-4-yl)ethanamine
CID 83820999
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784
(E)-but-2-enedioic acid;3-methyl-1-phenyl-8-[3-(2-thiophen-2-yl-1,3-dioxolan-2-yl)propyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 5468183
2-methyl-2-thiophen-2-yl-1,3-dioxole
CID 141238164
2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine
CID 117228973

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-thiophen-2-yl-1,3-dioxolane?
The IUPAC name of 2-propyl-2-thiophen-2-yl-1,3-dioxolane (CID 83957583) is 2-propyl-2-thiophen-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-propyl-2-thiophen-2-yl-1,3-dioxolane?
The canonical SMILES for 2-propyl-2-thiophen-2-yl-1,3-dioxolane is CCCC1(c2cccs2)OCCO1.
What is the InChIKey of 2-propyl-2-thiophen-2-yl-1,3-dioxolane?
The InChIKey is SSQJZWDYMKPMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-2-5-10(11-6-7-12-10)9-4-3-8-13-9/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 2-propyl-2-thiophen-2-yl-1,3-dioxolane?
2-propyl-2-thiophen-2-yl-1,3-dioxolane has a molecular weight of 198.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-thiophen-2-yl-1,3-dioxolane is sourced from PubChem (CID 83957583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).