tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane

C21H44O2Sn — CID 14532960

IUPACtributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane
SMILESCCCC[Sn](/C=C\C(C)C(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C9H17O2.3C4H9.Sn/c1-5-8(4)9(10-6-2)11-7-3;3*1-3-4-2;/h1,5,8-9H,6-7H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyOLTJRTNXZAJFFI-UHFFFAOYSA-N
MW447.29 g/mol
LogP6.97
Rot. Bonds16

About tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane

tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane (PubChem CID 14532960) has the molecular formula C21H44O2Sn and a molecular weight of 447.29 g/mol. Its IUPAC name is tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane
PubChem CID14532960
Molecular FormulaC21H44O2Sn
Molecular Weight447.29 g/mol
Exact Mass448.24
IUPAC Nametributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane
SMILESCCCC[Sn](/C=C\C(C)C(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C9H17O2.3C4H9.Sn/c1-5-8(4)9(10-6-2)11-7-3;3*1-3-4-2;/h1,5,8-9H,6-7H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyOLTJRTNXZAJFFI-UHFFFAOYSA-N
XLogP6.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.29
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261
tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
CID 14592139
tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane
CID 10574786
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
[(E)-4-tributylstannylbut-3-en-2-yl] acetate
CID 14112699
methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate
CID 139263828
(E,1R,2R)-1-[(1S,2R)-2-[(2S,3S)-3-methoxypentan-2-yl]cyclopropyl]-2-methyl-4-tributylstannylbut-3-en-1-ol
CID 73293714
(E,1S,2S)-1-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]-2-methyl-4-tributylstannylbut-3-en-1-ol
CID 53306024
(2R,6E,8R,9S,10Z)-8-(methoxymethoxy)-7,9-dimethyl-11-tributylstannylundeca-6,10-dien-2-ol
CID 16754601
tributyl(1-ethoxyethyl)stannane
CID 10926565
tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane
CID 10960038
tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane
CID 87758729

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane?
The IUPAC name of tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane (CID 14532960) is tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane.
What is the SMILES notation for tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane?
The canonical SMILES for tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane is CCCC[Sn](/C=C\C(C)C(OCC)OCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane?
The InChIKey is OLTJRTNXZAJFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2.3C4H9.Sn/c1-5-8(4)9(10-6-2)11-7-3;3*1-3-4-2;/h1,5,8-9H,6-7H2,2-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane?
tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane has a molecular weight of 447.29 g/mol, XLogP of 6.97, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane is sourced from PubChem (CID 14532960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).