2-(nonoxymethyl)-2,3-dihydrothiophene

C14H26OS — CID 91232222

IUPAC2-(nonoxymethyl)-2,3-dihydrothiophene
SMILESCCCCCCCCCOCC1CC=CS1
InChIInChI=1S/C14H26OS/c1-2-3-4-5-6-7-8-11-15-13-14-10-9-12-16-14/h9,12,14H,2-8,10-11,13H2,1H3
InChIKeyZRPBVQJFUCWGAE-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.77
Rot. Bonds10

About 2-(nonoxymethyl)-2,3-dihydrothiophene

2-(nonoxymethyl)-2,3-dihydrothiophene (PubChem CID 91232222) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-(nonoxymethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(nonoxymethyl)-2,3-dihydrothiophene
PubChem CID91232222
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-(nonoxymethyl)-2,3-dihydrothiophene
SMILESCCCCCCCCCOCC1CC=CS1
InChIInChI=1S/C14H26OS/c1-2-3-4-5-6-7-8-11-15-13-14-10-9-12-16-14/h9,12,14H,2-8,10-11,13H2,1H3
InChIKeyZRPBVQJFUCWGAE-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(nonoxymethyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(nonoxymethyl)-2,3-dihydrothiophene (CID 91232222) is 2-(nonoxymethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(nonoxymethyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(nonoxymethyl)-2,3-dihydrothiophene is CCCCCCCCCOCC1CC=CS1.
What is the InChIKey of 2-(nonoxymethyl)-2,3-dihydrothiophene?
The InChIKey is ZRPBVQJFUCWGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS/c1-2-3-4-5-6-7-8-11-15-13-14-10-9-12-16-14/h9,12,14H,2-8,10-11,13H2,1H3.
What are the key properties of 2-(nonoxymethyl)-2,3-dihydrothiophene?
2-(nonoxymethyl)-2,3-dihydrothiophene has a molecular weight of 242.43 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonoxymethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 91232222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).