2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one

C15H22O3S — CID 10564863

IUPAC2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one
SMILESCCOC(CC1C(=O)CCCC1c1cccs1)OC
InChIInChI=1S/C15H22O3S/c1-3-18-15(17-2)10-12-11(6-4-7-13(12)16)14-8-5-9-19-14/h5,8-9,11-12,15H,3-4,6-7,10H2,1-2H3
InChIKeyRTFYUWPEGFHOIW-UHFFFAOYSA-N
MW282.40 g/mol
LogP3.60
Rot. Bonds6

About 2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one

2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one (PubChem CID 10564863) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is 2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one
PubChem CID10564863
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one
SMILESCCOC(CC1C(=O)CCCC1c1cccs1)OC
InChIInChI=1S/C15H22O3S/c1-3-18-15(17-2)10-12-11(6-4-7-13(12)16)14-8-5-9-19-14/h5,8-9,11-12,15H,3-4,6-7,10H2,1-2H3
InChIKeyRTFYUWPEGFHOIW-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one?
The IUPAC name of 2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one (CID 10564863) is 2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one?
The canonical SMILES for 2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one is CCOC(CC1C(=O)CCCC1c1cccs1)OC.
What is the InChIKey of 2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one?
The InChIKey is RTFYUWPEGFHOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-3-18-15(17-2)10-12-11(6-4-7-13(12)16)14-8-5-9-19-14/h5,8-9,11-12,15H,3-4,6-7,10H2,1-2H3.
What are the key properties of 2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one?
2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one has a molecular weight of 282.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-methoxyethyl)-3-thiophen-2-ylcyclohexan-1-one is sourced from PubChem (CID 10564863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).