methyl 2-cyclohexyl-2-thiophen-2-ylacetate

C13H18O2S — CID 6453195

IUPACmethyl 2-cyclohexyl-2-thiophen-2-ylacetate
SMILESCOC(=O)C(c1cccs1)C1CCCCC1
InChIInChI=1S/C13H18O2S/c1-15-13(14)12(11-8-5-9-16-11)10-6-3-2-4-7-10/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyMIIGKLMBGRMWLT-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.59
Rot. Bonds3

About methyl 2-cyclohexyl-2-thiophen-2-ylacetate

methyl 2-cyclohexyl-2-thiophen-2-ylacetate (PubChem CID 6453195) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is methyl 2-cyclohexyl-2-thiophen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-2-thiophen-2-ylacetate
PubChem CID6453195
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Namemethyl 2-cyclohexyl-2-thiophen-2-ylacetate
SMILESCOC(=O)C(c1cccs1)C1CCCCC1
InChIInChI=1S/C13H18O2S/c1-15-13(14)12(11-8-5-9-16-11)10-6-3-2-4-7-10/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyMIIGKLMBGRMWLT-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate
CID 125106455
2-amino-N-[(1R)-1-cycloheptylethyl]-2-thiophen-2-ylacetamide
CID 115287598
N-[cyclopentyl(thiophen-2-yl)methyl]-2-methoxypropanamide
CID 47307968
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
methyl 2-thiophen-2-ylpropanoate
CID 12819459
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
2-amino-N-(1-cyclohexylpropyl)-2-thiophen-2-ylacetamide
CID 115287171
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
methyl 2-chloro-2-thiophen-2-ylacetate
CID 60704267
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
CID 129395618

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-2-thiophen-2-ylacetate?
The IUPAC name of methyl 2-cyclohexyl-2-thiophen-2-ylacetate (CID 6453195) is methyl 2-cyclohexyl-2-thiophen-2-ylacetate.
What is the SMILES notation for methyl 2-cyclohexyl-2-thiophen-2-ylacetate?
The canonical SMILES for methyl 2-cyclohexyl-2-thiophen-2-ylacetate is COC(=O)C(c1cccs1)C1CCCCC1.
What is the InChIKey of methyl 2-cyclohexyl-2-thiophen-2-ylacetate?
The InChIKey is MIIGKLMBGRMWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-15-13(14)12(11-8-5-9-16-11)10-6-3-2-4-7-10/h5,8-10,12H,2-4,6-7H2,1H3.
What are the key properties of methyl 2-cyclohexyl-2-thiophen-2-ylacetate?
methyl 2-cyclohexyl-2-thiophen-2-ylacetate has a molecular weight of 238.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-2-thiophen-2-ylacetate is sourced from PubChem (CID 6453195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).