(E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol

C29H28OSn — CID 10874905

IUPAC(E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol
SMILESOC(/C=C/C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C11H13O.3C6H5.Sn/c1-2-6-11(12)9-10-7-4-3-5-8-10;3*1-2-4-6-5-3-1;/h2-8,11-12H,1,9H2;3*1-5H;/b6-2+;;;;
InChIKeyMOIHGWSIJDWKGJ-GGDCSFEBSA-N
MW511.25 g/mol
LogP4.32
Rot. Bonds8

About (E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol

(E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol (PubChem CID 10874905) has the molecular formula C29H28OSn and a molecular weight of 511.25 g/mol. Its IUPAC name is (E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol
PubChem CID10874905
Molecular FormulaC29H28OSn
Molecular Weight511.25 g/mol
Exact Mass512.12
IUPAC Name(E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol
SMILESOC(/C=C/C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C11H13O.3C6H5.Sn/c1-2-6-11(12)9-10-7-4-3-5-8-10;3*1-2-4-6-5-3-1;/h2-8,11-12H,1,9H2;3*1-5H;/b6-2+;;;;
InChIKeyMOIHGWSIJDWKGJ-GGDCSFEBSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol?
The IUPAC name of (E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol (CID 10874905) is (E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol.
What is the SMILES notation for (E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol?
The canonical SMILES for (E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol is OC(/C=C/C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol?
The InChIKey is MOIHGWSIJDWKGJ-GGDCSFEBSA-N. The full InChI is InChI=1S/C11H13O.3C6H5.Sn/c1-2-6-11(12)9-10-7-4-3-5-8-10;3*1-2-4-6-5-3-1;/h2-8,11-12H,1,9H2;3*1-5H;/b6-2+;;;;.
What are the key properties of (E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol?
(E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol has a molecular weight of 511.25 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-5-triphenylstannylpent-3-en-2-ol is sourced from PubChem (CID 10874905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).