trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane

C15H31BO2Sn — CID 134978719

IUPACtrimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane
SMILESCCCC/C=C(/B1OC(C)(C)C(C)(C)O1)[Sn](C)(C)C
InChIInChI=1S/C12H22BO2.3CH3.Sn/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13;;;;/h9H,6-8H2,1-5H3;3*1H3;
InChIKeyRAVDEMUUMZSFDY-UHFFFAOYSA-N
MW372.93 g/mol
LogP4.61
Rot. Bonds5

About trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane

trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane (PubChem CID 134978719) has the molecular formula C15H31BO2Sn and a molecular weight of 372.93 g/mol. Its IUPAC name is trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane.

Molecular Properties

Compound Nametrimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane
PubChem CID134978719
Molecular FormulaC15H31BO2Sn
Molecular Weight372.93 g/mol
Exact Mass374.14
IUPAC Nametrimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane
SMILESCCCC/C=C(/B1OC(C)(C)C(C)(C)O1)[Sn](C)(C)C
InChIInChI=1S/C12H22BO2.3CH3.Sn/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13;;;;/h9H,6-8H2,1-5H3;3*1H3;
InChIKeyRAVDEMUUMZSFDY-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.93
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane with MolForge

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Related Compounds

2-(Cyclopent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486611
2-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11106616
2-[(1E)-3,3-Dimethyl-1-buten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11769738
4,4,5,5-Tetramethyl-2-[(1E)-pent-1-en-1-yl]-1,3,2-dioxaborolane
CID 15211560
2-(3,3-Dimethylbut-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15496053
2-(But-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46739762
4,4,5,5-Tetramethyl-2-(pent-1-en-2-yl)-1,3,2-dioxaborolane
CID 123897364
(E)-4,4,5,5-Tetramethyl-2-(4-methylpent-1-en-1-yl)-1,3,2-dioxaborolane
CID 124273621
(E)-2-(Hept-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15181925
4,4,5,5-Tetramethyl-2-(pent-1-en-3-yl)-1,3,2-dioxaborolane
CID 11701200
4,4,5,5-Tetramethyl-2-(4-methylpent-1-en-2-yl)-1,3,2-dioxaborolane
CID 154712902
4,4,5,5-Tetramethyl-2-(2-methylbut-3-en-2-yl)-1,3,2-dioxaborolane
CID 14893005

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane?
The IUPAC name of trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane (CID 134978719) is trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane.
What is the SMILES notation for trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane?
The canonical SMILES for trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane is CCCC/C=C(/B1OC(C)(C)C(C)(C)O1)[Sn](C)(C)C.
What is the InChIKey of trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane?
The InChIKey is RAVDEMUUMZSFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BO2.3CH3.Sn/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13;;;;/h9H,6-8H2,1-5H3;3*1H3;.
What are the key properties of trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane?
trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane has a molecular weight of 372.93 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]stannane is sourced from PubChem (CID 134978719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).