tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane

C24H42O2Sn — CID 14322207

IUPACtributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane
SMILESC/C=C/[C@H](OCOCc1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H15O2.3C4H9.Sn/c1-2-3-9-13-11-14-10-12-7-5-4-6-8-12;3*1-3-4-2;/h2-9H,10-11H2,1H3;3*1,3-4H2,2H3;/b3-2+;;;;
InChIKeyFITAAXUNQNJJML-KHLYBYSVSA-N
MW481.31 g/mol
LogP7.51
Rot. Bonds16

About tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane

tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane (PubChem CID 14322207) has the molecular formula C24H42O2Sn and a molecular weight of 481.31 g/mol. Its IUPAC name is tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane
PubChem CID14322207
Molecular FormulaC24H42O2Sn
Molecular Weight481.31 g/mol
Exact Mass482.22
IUPAC Nametributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane
SMILESC/C=C/[C@H](OCOCc1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H15O2.3C4H9.Sn/c1-2-3-9-13-11-14-10-12-7-5-4-6-8-12;3*1-3-4-2;/h2-9H,10-11H2,1H3;3*1,3-4H2,2H3;/b3-2+;;;;
InChIKeyFITAAXUNQNJJML-KHLYBYSVSA-N
XLogP7.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.31
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane
CID 12839862
2-phenylmethoxy-1-tributylstannylethanol
CID 10551127
oct-1-en-3-yloxymethoxymethylbenzene
CID 561879
tributyl-[[(E,4S,5S,6R)-4,6-dimethyl-5-(phenylmethoxymethoxy)non-2-en-4-yl]oxymethyl]stannane
CID 14194132
(3S)-3-(phenylmethoxymethoxy)tetradecanoic acid
CID 56629457
tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane
CID 71354444
[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene
CID 14220581
butyl-tris(phenylmethoxy)stannane
CID 16688200
tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane
CID 10671765
butoxymethylbenzene;ethane
CID 145341806
(2R)-2-[(E,1R)-1-(phenylmethoxymethoxy)hexadec-2-enyl]oxirane
CID 11269662
[(E)-3-phenoxyhex-4-en-2-yl]oxymethylbenzene
CID 146540878

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane?
The IUPAC name of tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane (CID 14322207) is tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane.
What is the SMILES notation for tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane?
The canonical SMILES for tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane is C/C=C/[C@H](OCOCc1ccccc1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane?
The InChIKey is FITAAXUNQNJJML-KHLYBYSVSA-N. The full InChI is InChI=1S/C12H15O2.3C4H9.Sn/c1-2-3-9-13-11-14-10-12-7-5-4-6-8-12;3*1-3-4-2;/h2-9H,10-11H2,1H3;3*1,3-4H2,2H3;/b3-2+;;;;.
What are the key properties of tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane?
tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane has a molecular weight of 481.31 g/mol, XLogP of 7.51, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E,1R)-1-(phenylmethoxymethoxy)but-2-enyl]stannane is sourced from PubChem (CID 14322207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).