tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane

C20H40O2Sn — CID 14115624

IUPACtributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane
SMILESCCCC[Sn](C/C=C/[C@H]1COC(C)(C)O1)(CCCC)CCCC
InChIInChI=1S/C8H13O2.3C4H9.Sn/c1-4-5-7-6-9-8(2,3)10-7;3*1-3-4-2;/h4-5,7H,1,6H2,2-3H3;3*1,3-4H2,2H3;/b5-4+;;;;/t7-;;;;/m0..../s1
InChIKeyKNKHUKIDFNVYGC-DOTIGTDBSA-N
MW431.25 g/mol
LogP6.54
Rot. Bonds12

About tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane

tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane (PubChem CID 14115624) has the molecular formula C20H40O2Sn and a molecular weight of 431.25 g/mol. Its IUPAC name is tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane
PubChem CID14115624
Molecular FormulaC20H40O2Sn
Molecular Weight431.25 g/mol
Exact Mass432.21
IUPAC Nametributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane
SMILESCCCC[Sn](C/C=C/[C@H]1COC(C)(C)O1)(CCCC)CCCC
InChIInChI=1S/C8H13O2.3C4H9.Sn/c1-4-5-7-6-9-8(2,3)10-7;3*1-3-4-2;/h4-5,7H,1,6H2,2-3H3;3*1,3-4H2,2H3;/b5-4+;;;;/t7-;;;;/m0..../s1
InChIKeyKNKHUKIDFNVYGC-DOTIGTDBSA-N
XLogP6.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.25
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane?
The IUPAC name of tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane (CID 14115624) is tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane?
The canonical SMILES for tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane is CCCC[Sn](C/C=C/[C@H]1COC(C)(C)O1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane?
The InChIKey is KNKHUKIDFNVYGC-DOTIGTDBSA-N. The full InChI is InChI=1S/C8H13O2.3C4H9.Sn/c1-4-5-7-6-9-8(2,3)10-7;3*1-3-4-2;/h4-5,7H,1,6H2,2-3H3;3*1,3-4H2,2H3;/b5-4+;;;;/t7-;;;;/m0..../s1.
What are the key properties of tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane?
tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane has a molecular weight of 431.25 g/mol, XLogP of 6.54, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane is sourced from PubChem (CID 14115624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).