tributyl(1-octoxyethenyl)stannane

C22H46OSn — CID 10928397

IUPACtributyl(1-octoxyethenyl)stannane
SMILESC=C(OCCCCCCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C10H19O.3C4H9.Sn/c1-3-5-6-7-8-9-10-11-4-2;3*1-3-4-2;/h2-3,5-10H2,1H3;3*1,3-4H2,2H3;
InChIKeySEQZGFDUFRQUNQ-UHFFFAOYSA-N
MW445.32 g/mol
LogP8.27
Rot. Bonds18

About tributyl(1-octoxyethenyl)stannane

tributyl(1-octoxyethenyl)stannane (PubChem CID 10928397) has the molecular formula C22H46OSn and a molecular weight of 445.32 g/mol. Its IUPAC name is tributyl(1-octoxyethenyl)stannane.

Molecular Properties

Compound Nametributyl(1-octoxyethenyl)stannane
PubChem CID10928397
Molecular FormulaC22H46OSn
Molecular Weight445.32 g/mol
Exact Mass446.26
IUPAC Nametributyl(1-octoxyethenyl)stannane
SMILESC=C(OCCCCCCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C10H19O.3C4H9.Sn/c1-3-5-6-7-8-9-10-11-4-2;3*1-3-4-2;/h2-3,5-10H2,1H3;3*1,3-4H2,2H3;
InChIKeySEQZGFDUFRQUNQ-UHFFFAOYSA-N
XLogP8.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.32
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-but-1-en-2-yloxyhexane
CID 57257919
1-oct-1-en-2-yloxydodecane
CID 58247133
tributyl(dec-1-en-2-yl)stannane
CID 14784453
1-buta-1,3-dien-2-yloxydocosane
CID 166669930
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
diheptyl but-2-enedioate;ethene
CID 173308008
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
4-O-[butyl-bis[[(Z)-4-oxo-4-tetradecoxybut-2-enoyl]oxy]stannyl] 1-O-tetradecyl but-2-enedioate
CID 139597082

Frequently Asked Questions

What is the IUPAC name of tributyl(1-octoxyethenyl)stannane?
The IUPAC name of tributyl(1-octoxyethenyl)stannane (CID 10928397) is tributyl(1-octoxyethenyl)stannane.
What is the SMILES notation for tributyl(1-octoxyethenyl)stannane?
The canonical SMILES for tributyl(1-octoxyethenyl)stannane is C=C(OCCCCCCCC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(1-octoxyethenyl)stannane?
The InChIKey is SEQZGFDUFRQUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O.3C4H9.Sn/c1-3-5-6-7-8-9-10-11-4-2;3*1-3-4-2;/h2-3,5-10H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl(1-octoxyethenyl)stannane?
tributyl(1-octoxyethenyl)stannane has a molecular weight of 445.32 g/mol, XLogP of 8.27, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(1-octoxyethenyl)stannane is sourced from PubChem (CID 10928397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).