CID 135065160

C18H29BClO2Si — CID 135065160

IUPAC—
SMILESCCCC(B1OC(C)(C)C(C)(C)O1)c1ccc(Cl)cc1[Si](C)C
InChIInChI=1S/C18H29BClO2Si/c1-8-9-15(19-21-17(2,3)18(4,5)22-19)14-11-10-13(20)12-16(14)23(6)7/h10-12,15H,8-9H2,1-7H3
InChIKeyYNYATHQGDVYAIX-UHFFFAOYSA-N
MW351.78 g/mol
LogP4.82
Rot. Bonds5

About CID 135065160

CID 135065160 (PubChem CID 135065160) has the molecular formula C18H29BClO2Si and a molecular weight of 351.78 g/mol.

Molecular Properties

Compound NameCID 135065160
PubChem CID135065160
Molecular FormulaC18H29BClO2Si
Molecular Weight351.78 g/mol
Exact Mass351.17
IUPAC Name—
SMILESCCCC(B1OC(C)(C)C(C)(C)O1)c1ccc(Cl)cc1[Si](C)C
InChIInChI=1S/C18H29BClO2Si/c1-8-9-15(19-21-17(2,3)18(4,5)22-19)14-11-10-13(20)12-16(14)23(6)7/h10-12,15H,8-9H2,1-7H3
InChIKeyYNYATHQGDVYAIX-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.78
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 135065160 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

(E)-2-(4-Chlorostyryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11021782
2-[(E)-2-(3-Chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 16218161
2-(4-Chlorophenyl)ethylboronic acid pinacol ester
CID 46221962
2-((E)-2-(2-chlorophenyl)ethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72942450
2-(3-Chloro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 23445107
2-(3-Chloro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 53429060
2-[2-Chloro-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72221121
2-(4-Chloro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 3767641
2-(2-Chloro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 16414172
1-(4-Chlorophenyl)vinylboronic acid, pinacol ester
CID 44118526
4-Chloro-2-methylphenylboronic acid pinacol ester
CID 56776825
2-(5-Chloro-2-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 60150199

Frequently Asked Questions

What is the IUPAC name of CID 135065160?
The IUPAC name of CID 135065160 (CID 135065160) is not available.
What is the SMILES notation for CID 135065160?
The canonical SMILES for CID 135065160 is CCCC(B1OC(C)(C)C(C)(C)O1)c1ccc(Cl)cc1[Si](C)C.
What is the InChIKey of CID 135065160?
The InChIKey is YNYATHQGDVYAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BClO2Si/c1-8-9-15(19-21-17(2,3)18(4,5)22-19)14-11-10-13(20)12-16(14)23(6)7/h10-12,15H,8-9H2,1-7H3.
What are the key properties of CID 135065160?
CID 135065160 has a molecular weight of 351.78 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135065160 is sourced from PubChem (CID 135065160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).