4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol

C20H32O3S — CID 15456612

IUPAC4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol
SMILESCCOC(C)OCCCC(O)C1(Sc2ccccc2)CCCCC1
InChIInChI=1S/C20H32O3S/c1-3-22-17(2)23-16-10-13-19(21)20(14-8-5-9-15-20)24-18-11-6-4-7-12-18/h4,6-7,11-12,17,19,21H,3,5,8-10,13-16H2,1-2H3
InChIKeyPUGZELMXLFVEBS-UHFFFAOYSA-N
MW352.54 g/mol
LogP5.02
Rot. Bonds10

About 4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol

4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol (PubChem CID 15456612) has the molecular formula C20H32O3S and a molecular weight of 352.54 g/mol. Its IUPAC name is 4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol.

Molecular Properties

Compound Name4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol
PubChem CID15456612
Molecular FormulaC20H32O3S
Molecular Weight352.54 g/mol
Exact Mass352.21
IUPAC Name4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol
SMILESCCOC(C)OCCCC(O)C1(Sc2ccccc2)CCCCC1
InChIInChI=1S/C20H32O3S/c1-3-22-17(2)23-16-10-13-19(21)20(14-8-5-9-15-20)24-18-11-6-4-7-12-18/h4,6-7,11-12,17,19,21H,3,5,8-10,13-16H2,1-2H3
InChIKeyPUGZELMXLFVEBS-UHFFFAOYSA-N
XLogP5.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.54
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol?
The IUPAC name of 4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol (CID 15456612) is 4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol.
What is the SMILES notation for 4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol?
The canonical SMILES for 4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol is CCOC(C)OCCCC(O)C1(Sc2ccccc2)CCCCC1.
What is the InChIKey of 4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol?
The InChIKey is PUGZELMXLFVEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3S/c1-3-22-17(2)23-16-10-13-19(21)20(14-8-5-9-15-20)24-18-11-6-4-7-12-18/h4,6-7,11-12,17,19,21H,3,5,8-10,13-16H2,1-2H3.
What are the key properties of 4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol?
4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol has a molecular weight of 352.54 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethoxy)-1-(1-phenylsulfanylcyclohexyl)butan-1-ol is sourced from PubChem (CID 15456612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).