CID 137258545

C23H45B2O4Si — CID 137258545

IUPAC—
SMILESCC[Si](CC)CC1[C@@H](B2OC(C)(C)C(C)(C)O2)CCC[C@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C23H45B2O4Si/c1-11-30(12-2)16-17-18(24-26-20(3,4)21(5,6)27-24)14-13-15-19(17)25-28-22(7,8)23(9,10)29-25/h17-19H,11-16H2,1-10H3/t17?,18-,19+
InChIKeyGGIRSYURVLGLLG-YQQQUEKLSA-N
MW435.32 g/mol
LogP6.25
Rot. Bonds6

About CID 137258545

CID 137258545 (PubChem CID 137258545) has the molecular formula C23H45B2O4Si and a molecular weight of 435.32 g/mol.

Molecular Properties

Compound NameCID 137258545
PubChem CID137258545
Molecular FormulaC23H45B2O4Si
Molecular Weight435.32 g/mol
Exact Mass435.33
IUPAC Name—
SMILESCC[Si](CC)CC1[C@@H](B2OC(C)(C)C(C)(C)O2)CCC[C@H]1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C23H45B2O4Si/c1-11-30(12-2)16-17-18(24-26-20(3,4)21(5,6)27-24)14-13-15-19(17)25-28-22(7,8)23(9,10)29-25/h17-19H,11-16H2,1-10H3/t17?,18-,19+
InChIKeyGGIRSYURVLGLLG-YQQQUEKLSA-N
XLogP6.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 74788899
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CID 15148448
4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane
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(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine
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2-[(1R,2R)-2-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 67413514
[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxysilane
CID 175414609
2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90890590
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Frequently Asked Questions

What is the IUPAC name of CID 137258545?
The IUPAC name of CID 137258545 (CID 137258545) is not available.
What is the SMILES notation for CID 137258545?
The canonical SMILES for CID 137258545 is CC[Si](CC)CC1[C@@H](B2OC(C)(C)C(C)(C)O2)CCC[C@H]1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of CID 137258545?
The InChIKey is GGIRSYURVLGLLG-YQQQUEKLSA-N. The full InChI is InChI=1S/C23H45B2O4Si/c1-11-30(12-2)16-17-18(24-26-20(3,4)21(5,6)27-24)14-13-15-19(17)25-28-22(7,8)23(9,10)29-25/h17-19H,11-16H2,1-10H3/t17?,18-,19+.
What are the key properties of CID 137258545?
CID 137258545 has a molecular weight of 435.32 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137258545 is sourced from PubChem (CID 137258545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).