tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane

C19H36O2Sn — CID 71358263

IUPACtributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane
SMILESCCCC[Sn](C=CC=CC1OCCO1)(CCCC)CCCC
InChIInChI=1S/C7H9O2.3C4H9.Sn/c1-2-3-4-7-8-5-6-9-7;3*1-3-4-2;/h1-4,7H,5-6H2;3*1,3-4H2,2H3;
InChIKeyMYVSVXURMCAMFQ-UHFFFAOYSA-N
MW415.21 g/mol
LogP5.86
Rot. Bonds12

About tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane

tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane (PubChem CID 71358263) has the molecular formula C19H36O2Sn and a molecular weight of 415.21 g/mol. Its IUPAC name is tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane.

Molecular Properties

Compound Nametributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane
PubChem CID71358263
Molecular FormulaC19H36O2Sn
Molecular Weight415.21 g/mol
Exact Mass416.17
IUPAC Nametributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane
SMILESCCCC[Sn](C=CC=CC1OCCO1)(CCCC)CCCC
InChIInChI=1S/C7H9O2.3C4H9.Sn/c1-2-3-4-7-8-5-6-9-7;3*1-3-4-2;/h1-4,7H,5-6H2;3*1,3-4H2,2H3;
InChIKeyMYVSVXURMCAMFQ-UHFFFAOYSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.21
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane
CID 13244502
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane
CID 10960038
(2Z,4E)-5-tributylstannylpenta-2,4-dien-1-ol
CID 172715105
2-[(E)-undec-1-enyl]-1,3-dioxolane
CID 170873891
trimethyl-[(Z)-2-tributylstannylethenyl]silane
CID 12516692
2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane
CID 87965048
tributyl-[(E)-2-cyclohexylethenyl]stannane
CID 10862246
tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane
CID 23510461
2-methyl-5-tributylstannylpenta-2,4-dien-1-ol
CID 71342873
tributyl-[(Z)-2-[(2S)-pyrrolidin-2-yl]ethenyl]stannane
CID 90117435
[(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane
CID 15675034

Frequently Asked Questions

What is the IUPAC name of tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane?
The IUPAC name of tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane (CID 71358263) is tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane.
What is the SMILES notation for tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane?
The canonical SMILES for tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane is CCCC[Sn](C=CC=CC1OCCO1)(CCCC)CCCC.
What is the InChIKey of tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane?
The InChIKey is MYVSVXURMCAMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O2.3C4H9.Sn/c1-2-3-4-7-8-5-6-9-7;3*1-3-4-2;/h1-4,7H,5-6H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane?
tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane has a molecular weight of 415.21 g/mol, XLogP of 5.86, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane is sourced from PubChem (CID 71358263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).