CID 59483029

C26H35BO3Si — CID 59483029

IUPAC—
SMILES[B][C@@H]1O[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(C)(C)[C@@H]1[C@@H]2OC
InChIInChI=1S/C26H35BO3Si/c1-24(2,3)31(19-13-9-7-10-14-19,20-15-11-8-12-16-20)29-18-26-17-25(4,5)21(22(26)28-6)23(27)30-26/h7-16,21-23H,17-18H2,1-6H3/t21-,22+,23-,26-/m1/s1
InChIKeyTWXYMZVOGVJWDC-ZGXDEKTJSA-N
MW434.46 g/mol
LogP3.89
Rot. Bonds6

About CID 59483029

CID 59483029 (PubChem CID 59483029) has the molecular formula C26H35BO3Si and a molecular weight of 434.46 g/mol.

Molecular Properties

Compound NameCID 59483029
PubChem CID59483029
Molecular FormulaC26H35BO3Si
Molecular Weight434.46 g/mol
Exact Mass434.24
IUPAC Name—
SMILES[B][C@@H]1O[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(C)(C)[C@@H]1[C@@H]2OC
InChIInChI=1S/C26H35BO3Si/c1-24(2,3)31(19-13-9-7-10-14-19,20-15-11-8-12-16-20)29-18-26-17-25(4,5)21(22(26)28-6)23(27)30-26/h7-16,21-23H,17-18H2,1-6H3/t21-,22+,23-,26-/m1/s1
InChIKeyTWXYMZVOGVJWDC-ZGXDEKTJSA-N
XLogP3.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 59483029 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59483239
CID 59483239
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
CID 59483014
CID 59483014
CID 59509655
CID 59509655
CID 59638519
CID 59638519
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
(2S,3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-2-methoxyoxolan-3-ol
CID 99772772
[(2S,3S,5R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
CID 91510832
[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 59483252
(3aS,6R,6aS)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxylic acid
CID 15343718
tert-butyl-[[(3R,4R)-4-methoxyoxolan-3-yl]methoxy]-diphenylsilane
CID 67077747

Frequently Asked Questions

What is the IUPAC name of CID 59483029?
The IUPAC name of CID 59483029 (CID 59483029) is not available.
What is the SMILES notation for CID 59483029?
The canonical SMILES for CID 59483029 is [B][C@@H]1O[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(C)(C)[C@@H]1[C@@H]2OC.
What is the InChIKey of CID 59483029?
The InChIKey is TWXYMZVOGVJWDC-ZGXDEKTJSA-N. The full InChI is InChI=1S/C26H35BO3Si/c1-24(2,3)31(19-13-9-7-10-14-19,20-15-11-8-12-16-20)29-18-26-17-25(4,5)21(22(26)28-6)23(27)30-26/h7-16,21-23H,17-18H2,1-6H3/t21-,22+,23-,26-/m1/s1.
What are the key properties of CID 59483029?
CID 59483029 has a molecular weight of 434.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59483029 is sourced from PubChem (CID 59483029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).