2-(methoxymethyl)-2-propyl-3H-thiophene

C9H16OS — CID 70131569

IUPAC2-(methoxymethyl)-2-propyl-3H-thiophene
SMILESCCCC1(COC)CC=CS1
InChIInChI=1S/C9H16OS/c1-3-5-9(8-10-2)6-4-7-11-9/h4,7H,3,5-6,8H2,1-2H3
InChIKeyYZDAQSWXARHINP-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.82
Rot. Bonds4

About 2-(methoxymethyl)-2-propyl-3H-thiophene

2-(methoxymethyl)-2-propyl-3H-thiophene (PubChem CID 70131569) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-propyl-3H-thiophene.

Molecular Properties

Compound Name2-(methoxymethyl)-2-propyl-3H-thiophene
PubChem CID70131569
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-(methoxymethyl)-2-propyl-3H-thiophene
SMILESCCCC1(COC)CC=CS1
InChIInChI=1S/C9H16OS/c1-3-5-9(8-10-2)6-4-7-11-9/h4,7H,3,5-6,8H2,1-2H3
InChIKeyYZDAQSWXARHINP-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-propyl-3H-thiophene?
The IUPAC name of 2-(methoxymethyl)-2-propyl-3H-thiophene (CID 70131569) is 2-(methoxymethyl)-2-propyl-3H-thiophene.
What is the SMILES notation for 2-(methoxymethyl)-2-propyl-3H-thiophene?
The canonical SMILES for 2-(methoxymethyl)-2-propyl-3H-thiophene is CCCC1(COC)CC=CS1.
What is the InChIKey of 2-(methoxymethyl)-2-propyl-3H-thiophene?
The InChIKey is YZDAQSWXARHINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-3-5-9(8-10-2)6-4-7-11-9/h4,7H,3,5-6,8H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-2-propyl-3H-thiophene?
2-(methoxymethyl)-2-propyl-3H-thiophene has a molecular weight of 172.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-propyl-3H-thiophene is sourced from PubChem (CID 70131569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).