lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane

C31H65B2LiO6Si2 — CID 160571133

IUPAClithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane
SMILESC1CCOC1.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(C/C=C/[Si](C)(C)C)OC1(C)C.[CH2-]/C=C/[Si](C)(C)C.[Li+]
InChIInChI=1S/C12H25BO2Si.C9H19BO3.C6H13Si.C4H8O.Li/c1-11(2)12(3,4)15-13(14-11)9-8-10-16(5,6)7;1-7(2)11-10-12-8(3,4)9(5,6)13-10;1-5-6-7(2,3)4;1-2-4-5-3-1;/h8,10H,9H2,1-7H3;7H,1-6H3;5-6H,1H2,2-4H3;1-4H2;/q;;-1;;+1/b10-8+;;6-5+;;
InChIKeyGICYTRAIKICNSG-LPYRYQIBSA-N
MW618.59 g/mol
LogP5.57
Rot. Bonds6

About lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane

lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane (PubChem CID 160571133) has the molecular formula C31H65B2LiO6Si2 and a molecular weight of 618.59 g/mol. Its IUPAC name is lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane.

Molecular Properties

Compound Namelithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane
PubChem CID160571133
Molecular FormulaC31H65B2LiO6Si2
Molecular Weight618.59 g/mol
Exact Mass618.47
IUPAC Namelithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane
SMILESC1CCOC1.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(C/C=C/[Si](C)(C)C)OC1(C)C.[CH2-]/C=C/[Si](C)(C)C.[Li+]
InChIInChI=1S/C12H25BO2Si.C9H19BO3.C6H13Si.C4H8O.Li/c1-11(2)12(3,4)15-13(14-11)9-8-10-16(5,6)7;1-7(2)11-10-12-8(3,4)9(5,6)13-10;1-5-6-7(2,3)4;1-2-4-5-3-1;/h8,10H,9H2,1-7H3;7H,1-6H3;5-6H,1H2,2-4H3;1-4H2;/q;;-1;;+1/b10-8+;;6-5+;;
InChIKeyGICYTRAIKICNSG-LPYRYQIBSA-N
XLogP5.57
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.59
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane?
The IUPAC name of lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane (CID 160571133) is lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane.
What is the SMILES notation for lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane?
The canonical SMILES for lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane is C1CCOC1.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(C/C=C/[Si](C)(C)C)OC1(C)C.[CH2-]/C=C/[Si](C)(C)C.[Li+].
What is the InChIKey of lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane?
The InChIKey is GICYTRAIKICNSG-LPYRYQIBSA-N. The full InChI is InChI=1S/C12H25BO2Si.C9H19BO3.C6H13Si.C4H8O.Li/c1-11(2)12(3,4)15-13(14-11)9-8-10-16(5,6)7;1-7(2)11-10-12-8(3,4)9(5,6)13-10;1-5-6-7(2,3)4;1-2-4-5-3-1;/h8,10H,9H2,1-7H3;7H,1-6H3;5-6H,1H2,2-4H3;1-4H2;/q;;-1;;+1/b10-8+;;6-5+;;.
What are the key properties of lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane?
lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane has a molecular weight of 618.59 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;trimethyl-[(E)-prop-1-enyl]silane;trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane is sourced from PubChem (CID 160571133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).