(E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol

C23H40O2Sn — CID 14527456

IUPAC(E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)COC/C=C/C(O)c1ccccc1
InChIInChI=1S/C11H13O2.3C4H9.Sn/c1-13-9-5-8-11(12)10-6-3-2-4-7-10;3*1-3-4-2;/h2-8,11-12H,1,9H2;3*1,3-4H2,2H3;/b8-5+;;;;
InChIKeyWAVNXTJOIZIJMB-RKAMWMKASA-N
MW467.28 g/mol
LogP6.68
Rot. Bonds15

About (E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol

(E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol (PubChem CID 14527456) has the molecular formula C23H40O2Sn and a molecular weight of 467.28 g/mol. Its IUPAC name is (E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
PubChem CID14527456
Molecular FormulaC23H40O2Sn
Molecular Weight467.28 g/mol
Exact Mass468.21
IUPAC Name(E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)COC/C=C/C(O)c1ccccc1
InChIInChI=1S/C11H13O2.3C4H9.Sn/c1-13-9-5-8-11(12)10-6-3-2-4-7-10;3*1-3-4-2;/h2-8,11-12H,1,9H2;3*1,3-4H2,2H3;/b8-5+;;;;
InChIKeyWAVNXTJOIZIJMB-RKAMWMKASA-N
XLogP6.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.28
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
CID 14527457
(E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine
CID 14660998
(E)-1-phenyloct-2-en-1-ol
CID 10822082
(E,1R)-1-phenylnon-2-en-1-ol
CID 11287425
N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine
CID 160812472
1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol
CID 14527450
tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate
CID 11369081
(Z)-1,4-diphenylbut-2-ene-1,4-diol
CID 12815414
tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane
CID 71354444
(Z)-1-phenyl-6-tributylstannylhex-4-en-3-ol
CID 177410163
(1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol
CID 10930655
octadec-3-en-2-ylbenzene
CID 140717946

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol?
The IUPAC name of (E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol (CID 14527456) is (E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol.
What is the SMILES notation for (E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol?
The canonical SMILES for (E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol is CCCC[Sn](CCCC)(CCCC)COC/C=C/C(O)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol?
The InChIKey is WAVNXTJOIZIJMB-RKAMWMKASA-N. The full InChI is InChI=1S/C11H13O2.3C4H9.Sn/c1-13-9-5-8-11(12)10-6-3-2-4-7-10;3*1-3-4-2;/h2-8,11-12H,1,9H2;3*1,3-4H2,2H3;/b8-5+;;;;.
What are the key properties of (E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol?
(E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol has a molecular weight of 467.28 g/mol, XLogP of 6.68, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol is sourced from PubChem (CID 14527456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).