(4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol

C27H44OSn — CID 50993196

IUPAC(4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol
SMILESCCCC[Sn](/C=C/C=C/C=C/C(O)CCc1ccccc1)(CCCC)CCCC
InChIInChI=1S/C15H17O.3C4H9.Sn/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14;3*1-3-4-2;/h1-11,15-16H,12-13H2;3*1,3-4H2,2H3;/b2-1?,4-3+,11-8+;;;;
InChIKeyARSVGOGMCSURAU-PLCBHPDLSA-N
MW503.36 g/mol
LogP8.04
Rot. Bonds16

About (4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol

(4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol (PubChem CID 50993196) has the molecular formula C27H44OSn and a molecular weight of 503.36 g/mol. Its IUPAC name is (4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol.

Molecular Properties

Compound Name(4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol
PubChem CID50993196
Molecular FormulaC27H44OSn
Molecular Weight503.36 g/mol
Exact Mass504.24
IUPAC Name(4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol
SMILESCCCC[Sn](/C=C/C=C/C=C/C(O)CCc1ccccc1)(CCCC)CCCC
InChIInChI=1S/C15H17O.3C4H9.Sn/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14;3*1-3-4-2;/h1-11,15-16H,12-13H2;3*1,3-4H2,2H3;/b2-1?,4-3+,11-8+;;;;
InChIKeyARSVGOGMCSURAU-PLCBHPDLSA-N
XLogP8.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.36
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-phenyl-6-tributylstannylhex-4-en-3-ol
CID 177410163
triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane
CID 67429705
(3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol
CID 5324474
(Z,3R)-1-phenylhex-4-en-3-ol
CID 129363881
tributyl-[(E)-5-phenylpent-1-enyl]stannane
CID 12793749
(6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid
CID 20588555
1-phenylheptan-3-ol
CID 10420110
2-(heptanoylamino)-4-phenylbutanoic acid
CID 114916720
3-hydroxy-1-phenylnonan-4-one
CID 135039078
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
(1S)-1-(dimethylamino)-3-phenylpropan-1-ol
CID 54291399
2-[(Z)-3-hydroxy-5-phenylpent-1-enyl]phenol
CID 11097132

Frequently Asked Questions

What is the IUPAC name of (4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol?
The IUPAC name of (4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol (CID 50993196) is (4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol.
What is the SMILES notation for (4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol?
The canonical SMILES for (4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol is CCCC[Sn](/C=C/C=C/C=C/C(O)CCc1ccccc1)(CCCC)CCCC.
What is the InChIKey of (4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol?
The InChIKey is ARSVGOGMCSURAU-PLCBHPDLSA-N. The full InChI is InChI=1S/C15H17O.3C4H9.Sn/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14;3*1-3-4-2;/h1-11,15-16H,12-13H2;3*1,3-4H2,2H3;/b2-1?,4-3+,11-8+;;;;.
What are the key properties of (4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol?
(4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol has a molecular weight of 503.36 g/mol, XLogP of 8.04, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol is sourced from PubChem (CID 50993196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).