2-(hexoxymethyl)-2,3-dihydrothiophene

C11H20OS — CID 91432347

IUPAC2-(hexoxymethyl)-2,3-dihydrothiophene
SMILESCCCCCCOCC1CC=CS1
InChIInChI=1S/C11H20OS/c1-2-3-4-5-8-12-10-11-7-6-9-13-11/h6,9,11H,2-5,7-8,10H2,1H3
InChIKeyXUPODJRVFXQDHA-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds7

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

2-(hexoxymethyl)-2,3-dihydrothiophene (PubChem CID 91432347) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(hexoxymethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-(hexoxymethyl)-2,3-dihydrothiophene
PubChem CID91432347
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-(hexoxymethyl)-2,3-dihydrothiophene
SMILESCCCCCCOCC1CC=CS1
InChIInChI=1S/C11H20OS/c1-2-3-4-5-8-12-10-11-7-6-9-13-11/h6,9,11H,2-5,7-8,10H2,1H3
InChIKeyXUPODJRVFXQDHA-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.60
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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Related Compounds

4-Ethoxy-4-methylsulfanyloct-1-ene
CID 134872067
2-(2-Ethoxyethyl)-2,3-dihydrothiophene
CID 67866147
2-(methoxymethyl)-2-propyl-3H-thiophene
CID 70131569
2-(2-Methoxyethyl)-2,3-dihydrothiophene
CID 70265463
2-(2-Propoxyethyl)-2,3-dihydrothiophene
CID 70647710
2-(Butoxymethyl)-2,3-dihydrothiophene
CID 90694438
2-(Propoxymethyl)-2,3-dihydrothiophene
CID 90980385
2-(Nonoxymethyl)-2,3-dihydrothiophene
CID 91232222
2-(Cyclohexyloxymethyl)-2,3-dihydrothiophene
CID 91249774
2-(Heptoxymethyl)-2,3-dihydrothiophene
CID 91304634
2-(Ethoxymethyl)-2,3-dihydrothiophene
CID 91356929
2-(2-Ethylhexoxymethyl)-2,3-dihydrothiophene
CID 91365829

Frequently Asked Questions

What is the IUPAC name of 2-(hexoxymethyl)-2,3-dihydrothiophene?
The IUPAC name of 2-(hexoxymethyl)-2,3-dihydrothiophene (CID 91432347) is 2-(hexoxymethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 2-(hexoxymethyl)-2,3-dihydrothiophene?
The canonical SMILES for 2-(hexoxymethyl)-2,3-dihydrothiophene is CCCCCCOCC1CC=CS1.
What is the InChIKey of 2-(hexoxymethyl)-2,3-dihydrothiophene?
The InChIKey is XUPODJRVFXQDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-2-3-4-5-8-12-10-11-7-6-9-13-11/h6,9,11H,2-5,7-8,10H2,1H3.
What are the key properties of 2-(hexoxymethyl)-2,3-dihydrothiophene?
2-(hexoxymethyl)-2,3-dihydrothiophene has a molecular weight of 200.35 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexoxymethyl)-2,3-dihydrothiophene is sourced from PubChem (CID 91432347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).