(E)-3-phenyl-4-tributylstannylbut-3-en-1-ol

C22H38OSn — CID 15688386

IUPAC(E)-3-phenyl-4-tributylstannylbut-3-en-1-ol
SMILESCCCC[Sn](/C=C(\CCO)c1ccccc1)(CCCC)CCCC
InChIInChI=1S/C10H11O.3C4H9.Sn/c1-9(7-8-11)10-5-3-2-4-6-10;3*1-3-4-2;/h1-6,11H,7-8H2;3*1,3-4H2,2H3;
InChIKeyQXLJCLDVFKUGIV-UHFFFAOYSA-N
MW437.26 g/mol
LogP6.84
Rot. Bonds13

About (E)-3-phenyl-4-tributylstannylbut-3-en-1-ol

(E)-3-phenyl-4-tributylstannylbut-3-en-1-ol (PubChem CID 15688386) has the molecular formula C22H38OSn and a molecular weight of 437.26 g/mol. Its IUPAC name is (E)-3-phenyl-4-tributylstannylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-3-phenyl-4-tributylstannylbut-3-en-1-ol
PubChem CID15688386
Molecular FormulaC22H38OSn
Molecular Weight437.26 g/mol
Exact Mass438.19
IUPAC Name(E)-3-phenyl-4-tributylstannylbut-3-en-1-ol
SMILESCCCC[Sn](/C=C(\CCO)c1ccccc1)(CCCC)CCCC
InChIInChI=1S/C10H11O.3C4H9.Sn/c1-9(7-8-11)10-5-3-2-4-6-10;3*1-3-4-2;/h1-6,11H,7-8H2;3*1,3-4H2,2H3;
InChIKeyQXLJCLDVFKUGIV-UHFFFAOYSA-N
XLogP6.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.26
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane
CID 177486303
tributyl-(2,2-difluoro-1-phenylethenyl)stannane
CID 24824295
[(E)-hept-2-en-3-yl]benzene
CID 14568345
tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane
CID 177456786
[(Z)-non-3-en-4-yl]benzene
CID 101008148
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene
CID 173389416
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
CID 11672996
tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane
CID 171932376
tributyl-[(E)-2-phenylprop-1-enoxy]stannane
CID 16704522
tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504
benzoic acid;hexan-1-ol
CID 175334621

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-4-tributylstannylbut-3-en-1-ol?
The IUPAC name of (E)-3-phenyl-4-tributylstannylbut-3-en-1-ol (CID 15688386) is (E)-3-phenyl-4-tributylstannylbut-3-en-1-ol.
What is the SMILES notation for (E)-3-phenyl-4-tributylstannylbut-3-en-1-ol?
The canonical SMILES for (E)-3-phenyl-4-tributylstannylbut-3-en-1-ol is CCCC[Sn](/C=C(\CCO)c1ccccc1)(CCCC)CCCC.
What is the InChIKey of (E)-3-phenyl-4-tributylstannylbut-3-en-1-ol?
The InChIKey is QXLJCLDVFKUGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O.3C4H9.Sn/c1-9(7-8-11)10-5-3-2-4-6-10;3*1-3-4-2;/h1-6,11H,7-8H2;3*1,3-4H2,2H3;.
What are the key properties of (E)-3-phenyl-4-tributylstannylbut-3-en-1-ol?
(E)-3-phenyl-4-tributylstannylbut-3-en-1-ol has a molecular weight of 437.26 g/mol, XLogP of 6.84, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-4-tributylstannylbut-3-en-1-ol is sourced from PubChem (CID 15688386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).