tributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene

C29H48OSn — CID 67611860

IUPACtributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene
SMILESCCCC[Sn](CCCC)(CCCC)CCOc1ccccc1.Cc1cccc(C)c1C
InChIInChI=1S/C9H12.C8H9O.3C4H9.Sn/c1-7-5-4-6-8(2)9(7)3;1-2-9-8-6-4-3-5-7-8;3*1-3-4-2;/h4-6H,1-3H3;3-7H,1-2H2;3*1,3-4H2,2H3;
InChIKeyCGQVDGZZUIZZOG-UHFFFAOYSA-N
MW531.41 g/mol
LogP9.53
Rot. Bonds13

About tributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene

tributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene (PubChem CID 67611860) has the molecular formula C29H48OSn and a molecular weight of 531.41 g/mol. Its IUPAC name is tributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene.

Molecular Properties

Compound Nametributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene
PubChem CID67611860
Molecular FormulaC29H48OSn
Molecular Weight531.41 g/mol
Exact Mass532.27
IUPAC Nametributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene
SMILESCCCC[Sn](CCCC)(CCCC)CCOc1ccccc1.Cc1cccc(C)c1C
InChIInChI=1S/C9H12.C8H9O.3C4H9.Sn/c1-7-5-4-6-8(2)9(7)3;1-2-9-8-6-4-3-5-7-8;3*1-3-4-2;/h4-6H,1-3H3;3-7H,1-2H2;3*1,3-4H2,2H3;
InChIKeyCGQVDGZZUIZZOG-UHFFFAOYSA-N
XLogP9.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.41
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tributyl(2-phenoxyethyl)stannane
CID 67611861
pentoxybenzene;undecane
CID 174778179
hexane;1,2,3-trimethylbenzene
CID 159405289
1-butyl-3,5-bis(2-phenoxyethyl)benzene
CID 174735966
1,3-dimethyl-2-(2-phenoxyethoxy)benzene
CID 78906435
butoxybenzene;methyl formate
CID 174933114
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
ethene;nonoxybenzene;sulfane
CID 174919596
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
dodecoxybenzene;ethene;hydrate
CID 174804981
acetic acid;butoxybenzene
CID 162338086

Frequently Asked Questions

What is the IUPAC name of tributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene?
The IUPAC name of tributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene (CID 67611860) is tributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene.
What is the SMILES notation for tributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene?
The canonical SMILES for tributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene is CCCC[Sn](CCCC)(CCCC)CCOc1ccccc1.Cc1cccc(C)c1C.
What is the InChIKey of tributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene?
The InChIKey is CGQVDGZZUIZZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H9O.3C4H9.Sn/c1-7-5-4-6-8(2)9(7)3;1-2-9-8-6-4-3-5-7-8;3*1-3-4-2;/h4-6H,1-3H3;3-7H,1-2H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene?
tributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene has a molecular weight of 531.41 g/mol, XLogP of 9.53, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2-phenoxyethyl)stannane;1,2,3-trimethylbenzene is sourced from PubChem (CID 67611860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).