1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol

C16H22O2Se — CID 10805966

IUPAC1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol
SMILESCCO/C=C(\[Se]c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H22O2Se/c1-2-18-13-15(16(17)11-7-4-8-12-16)19-14-9-5-3-6-10-14/h3,5-6,9-10,13,17H,2,4,7-8,11-12H2,1H3/b15-13-
InChIKeyLXPNQBNLORMUCU-SQFISAMPSA-N
MW325.31 g/mol
LogP2.59
Rot. Bonds5

About 1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol

1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol (PubChem CID 10805966) has the molecular formula C16H22O2Se and a molecular weight of 325.31 g/mol. Its IUPAC name is 1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol
PubChem CID10805966
Molecular FormulaC16H22O2Se
Molecular Weight325.31 g/mol
Exact Mass326.08
IUPAC Name1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol
SMILESCCO/C=C(\[Se]c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H22O2Se/c1-2-18-13-15(16(17)11-7-4-8-12-16)19-14-9-5-3-6-10-14/h3,5-6,9-10,13,17H,2,4,7-8,11-12H2,1H3/b15-13-
InChIKeyLXPNQBNLORMUCU-SQFISAMPSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol?
The IUPAC name of 1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol (CID 10805966) is 1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol is CCO/C=C(\[Se]c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol?
The InChIKey is LXPNQBNLORMUCU-SQFISAMPSA-N. The full InChI is InChI=1S/C16H22O2Se/c1-2-18-13-15(16(17)11-7-4-8-12-16)19-14-9-5-3-6-10-14/h3,5-6,9-10,13,17H,2,4,7-8,11-12H2,1H3/b15-13-.
What are the key properties of 1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol?
1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol has a molecular weight of 325.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-ethoxy-1-phenylselanylethenyl]cyclohexan-1-ol is sourced from PubChem (CID 10805966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).