2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane

C11H16O3S — CID 66474968

IUPAC2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane
SMILESc1csc(COCCC2OCCCO2)c1
InChIInChI=1S/C11H16O3S/c1-3-10(15-8-1)9-12-7-4-11-13-5-2-6-14-11/h1,3,8,11H,2,4-7,9H2
InChIKeyGYBPWZJVVQOPFM-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.42
Rot. Bonds5

About 2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane

2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane (PubChem CID 66474968) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane
PubChem CID66474968
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane
SMILESc1csc(COCCC2OCCCO2)c1
InChIInChI=1S/C11H16O3S/c1-3-10(15-8-1)9-12-7-4-11-13-5-2-6-14-11/h1,3,8,11H,2,4-7,9H2
InChIKeyGYBPWZJVVQOPFM-UHFFFAOYSA-N
XLogP2.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(thiophen-2-ylmethoxymethyl)oxirane
CID 7127504
N-[2-(thiophen-2-ylmethoxy)ethyl]cyclopropanamine
CID 62485246
trimethyl-[2-(thiophen-2-ylmethoxy)ethyl]silane
CID 10420808
N-[2-(1,3-dioxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 110370165
2-(ethoxymethyl)thiophene
CID 12699283
2-(hexoxymethyl)thiophene
CID 57182867
5-(thiophen-2-ylmethoxy)pentan-2-one
CID 62033282
2-(methoxymethyl)thiophene
CID 10240820
1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 55014565
2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene
CID 65007480
6-(thiophen-2-ylmethoxy)hexan-2-one
CID 62033101
6-(thiophen-2-ylmethoxy)hexan-3-one
CID 106802084

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane (CID 66474968) is 2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane is c1csc(COCCC2OCCCO2)c1.
What is the InChIKey of 2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane?
The InChIKey is GYBPWZJVVQOPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-3-10(15-8-1)9-12-7-4-11-13-5-2-6-14-11/h1,3,8,11H,2,4-7,9H2.
What are the key properties of 2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane?
2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane has a molecular weight of 228.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiophen-2-ylmethoxy)ethyl]-1,3-dioxane is sourced from PubChem (CID 66474968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).