2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol

C12H18O2S — CID 66343326

IUPAC2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol
SMILESCCC1(C)C(O)CC1OCc1cccs1
InChIInChI=1S/C12H18O2S/c1-3-12(2)10(13)7-11(12)14-8-9-5-4-6-15-9/h4-6,10-11,13H,3,7-8H2,1-2H3
InChIKeyCAKWWZIGIJLXQD-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.81
Rot. Bonds4

About 2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol

2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol (PubChem CID 66343326) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol
PubChem CID66343326
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol
SMILESCCC1(C)C(O)CC1OCc1cccs1
InChIInChI=1S/C12H18O2S/c1-3-12(2)10(13)7-11(12)14-8-9-5-4-6-15-9/h4-6,10-11,13H,3,7-8H2,1-2H3
InChIKeyCAKWWZIGIJLXQD-UHFFFAOYSA-N
XLogP2.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-amine
CID 66350899
N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351553
3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351552
N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351117
(1S,2R,4R,5S)-5-chloro-1-methyl-4-propan-2-yl-2-(thiophen-2-ylmethoxy)-7-oxabicyclo[2.2.1]heptane
CID 172571509
2-(ethoxymethyl)thiophene
CID 12699283
2-(methoxymethyl)thiophene
CID 10240820
2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol
CID 66368538
3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 80526184
(1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 99608200
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol
CID 107171617

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol?
The IUPAC name of 2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol (CID 66343326) is 2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol.
What is the SMILES notation for 2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol?
The canonical SMILES for 2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol is CCC1(C)C(O)CC1OCc1cccs1.
What is the InChIKey of 2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol?
The InChIKey is CAKWWZIGIJLXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-3-12(2)10(13)7-11(12)14-8-9-5-4-6-15-9/h4-6,10-11,13H,3,7-8H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol?
2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(thiophen-2-ylmethoxy)cyclobutan-1-ol is sourced from PubChem (CID 66343326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).