1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol

C15H20O2S — CID 10491883

IUPAC1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol
SMILESCCO/C=C(\Sc1ccccc1)C1(O)CCCC1
InChIInChI=1S/C15H20O2S/c1-2-17-12-14(15(16)10-6-7-11-15)18-13-8-4-3-5-9-13/h3-5,8-9,12,16H,2,6-7,10-11H2,1H3/b14-12-
InChIKeyYKEXLEAYTIGRDK-OWBHPGMISA-N
MW264.39 g/mol
LogP3.96
Rot. Bonds5

About 1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol

1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol (PubChem CID 10491883) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol
PubChem CID10491883
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol
SMILESCCO/C=C(\Sc1ccccc1)C1(O)CCCC1
InChIInChI=1S/C15H20O2S/c1-2-17-12-14(15(16)10-6-7-11-15)18-13-8-4-3-5-9-13/h3-5,8-9,12,16H,2,6-7,10-11H2,1H3/b14-12-
InChIKeyYKEXLEAYTIGRDK-OWBHPGMISA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol?
The IUPAC name of 1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol (CID 10491883) is 1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol is CCO/C=C(\Sc1ccccc1)C1(O)CCCC1.
What is the InChIKey of 1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol?
The InChIKey is YKEXLEAYTIGRDK-OWBHPGMISA-N. The full InChI is InChI=1S/C15H20O2S/c1-2-17-12-14(15(16)10-6-7-11-15)18-13-8-4-3-5-9-13/h3-5,8-9,12,16H,2,6-7,10-11H2,1H3/b14-12-.
What are the key properties of 1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol?
1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol has a molecular weight of 264.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-ethoxy-1-phenylsulfanylethenyl]cyclopentan-1-ol is sourced from PubChem (CID 10491883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).