tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane

C29H44OSn — CID 16638844

IUPACtributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccccc1/C=C/c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H17O.3C4H9.Sn/c1-14(2)18-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15;3*1-3-4-2;/h3-6,8-14H,1-2H3;3*1,3-4H2,2H3;/b9-8+;;;;
InChIKeyMSJXWQNXUYEGTR-HUMMXKGPSA-N
MW527.38 g/mol
LogP8.70
Rot. Bonds14

About tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane

tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane (PubChem CID 16638844) has the molecular formula C29H44OSn and a molecular weight of 527.38 g/mol. Its IUPAC name is tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane.

Molecular Properties

Compound Nametributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane
PubChem CID16638844
Molecular FormulaC29H44OSn
Molecular Weight527.38 g/mol
Exact Mass528.24
IUPAC Nametributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccccc1/C=C/c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H17O.3C4H9.Sn/c1-14(2)18-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15;3*1-3-4-2;/h3-6,8-14H,1-2H3;3*1,3-4H2,2H3;/b9-8+;;;;
InChIKeyMSJXWQNXUYEGTR-HUMMXKGPSA-N
XLogP8.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.38
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene
CID 168849749
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916
dimethyl-[2-(4-propan-2-yloxyphenyl)ethenyl]silane
CID 154158908
tributyl(thianthren-1-yl)stannane
CID 10839255
tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane
CID 25214897
2-(4-butoxyphenyl)-3-[2-[2-(4-butoxyphenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]ethyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one
CID 4874676
CID 160765795
CID 160765795
1,4-dibromo-2,5-bis[(E)-2-(4-butoxyphenyl)ethenyl]benzene
CID 86600085
tributyl-(2-chloro-3-pyridinyl)stannane
CID 10668839
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
CID 5379092
N-[(pentanoylamino)-(4-propan-2-yloxyphenyl)methyl]pentanamide
CID 18839396

Frequently Asked Questions

What is the IUPAC name of tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane?
The IUPAC name of tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane (CID 16638844) is tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane.
What is the SMILES notation for tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane?
The canonical SMILES for tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane is CCCC[Sn](CCCC)(CCCC)c1ccccc1/C=C/c1ccc(OC(C)C)cc1.
What is the InChIKey of tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane?
The InChIKey is MSJXWQNXUYEGTR-HUMMXKGPSA-N. The full InChI is InChI=1S/C17H17O.3C4H9.Sn/c1-14(2)18-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15;3*1-3-4-2;/h3-6,8-14H,1-2H3;3*1,3-4H2,2H3;/b9-8+;;;;.
What are the key properties of tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane?
tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane has a molecular weight of 527.38 g/mol, XLogP of 8.70, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]phenyl]stannane is sourced from PubChem (CID 16638844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).