tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane

C18H38O2Sn — CID 12839862

IUPACtributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane
SMILESC/C=C/[C@@H](OCOC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H11O2.3C4H9.Sn/c1-3-4-5-8-6-7-2;3*1-3-4-2;/h3-5H,6H2,1-2H3;3*1,3-4H2,2H3;/b4-3+;;;;
InChIKeyFVUIUPLNKMLNIA-PLJHVDPMSA-N
MW405.21 g/mol
LogP5.94
Rot. Bonds14

About tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane

tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane (PubChem CID 12839862) has the molecular formula C18H38O2Sn and a molecular weight of 405.21 g/mol. Its IUPAC name is tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane
PubChem CID12839862
Molecular FormulaC18H38O2Sn
Molecular Weight405.21 g/mol
Exact Mass406.19
IUPAC Nametributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane
SMILESC/C=C/[C@@H](OCOC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H11O2.3C4H9.Sn/c1-3-4-5-8-6-7-2;3*1-3-4-2;/h3-5H,6H2,1-2H3;3*1,3-4H2,2H3;/b4-3+;;;;
InChIKeyFVUIUPLNKMLNIA-PLJHVDPMSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.21
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-1-tributylstannylbut-2-enyl]stannane
CID 10508278
tributyl-[(1R)-1-(methoxymethoxy)pent-4-enyl]stannane
CID 11774446
tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane
CID 14902376
tributyl-[4-(methoxymethoxy)but-3-en-2-yl]stannane
CID 71341507
tributyl-[(Z,4R)-oct-2-en-4-yl]stannane
CID 177449135
(E,4S,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 134993005
(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 134992697
[(1R)-1-[(E)-but-2-enoxy]propyl]-tributylstannane
CID 11133191
(E,4R,5S)-4-(methoxymethoxy)tridec-2-en-6-yn-5-ol
CID 10445037
tributyl(diethoxymethyl)stannane
CID 4197765
tributyl(1-ethoxyethyl)stannane
CID 10926565
5-(methoxymethoxy)-1-tributylstannylpentan-1-ol
CID 10863048

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane?
The IUPAC name of tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane (CID 12839862) is tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane.
What is the SMILES notation for tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane?
The canonical SMILES for tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane is C/C=C/[C@@H](OCOC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane?
The InChIKey is FVUIUPLNKMLNIA-PLJHVDPMSA-N. The full InChI is InChI=1S/C6H11O2.3C4H9.Sn/c1-3-4-5-8-6-7-2;3*1-3-4-2;/h3-5H,6H2,1-2H3;3*1,3-4H2,2H3;/b4-3+;;;;.
What are the key properties of tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane?
tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane has a molecular weight of 405.21 g/mol, XLogP of 5.94, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane is sourced from PubChem (CID 12839862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).