CID 119078132

C22H37B2O5Si — CID 119078132

IUPAC—
SMILESCOc1ccc(B2OC(C)(C)C(C)(C)O2)c(C[Si](C)C)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C22H37B2O5Si/c1-19(2)20(3,4)27-23(26-19)16-12-13-17(25-9)18(15(16)14-30(10)11)24-28-21(5,6)22(7,8)29-24/h12-13H,14H2,1-11H3
InChIKeyYMGRAMQDWAACSO-UHFFFAOYSA-N
MW431.24 g/mol
LogP3.13
Rot. Bonds5

About CID 119078132

CID 119078132 (PubChem CID 119078132) has the molecular formula C22H37B2O5Si and a molecular weight of 431.24 g/mol.

Molecular Properties

Compound NameCID 119078132
PubChem CID119078132
Molecular FormulaC22H37B2O5Si
Molecular Weight431.24 g/mol
Exact Mass431.26
IUPAC Name—
SMILESCOc1ccc(B2OC(C)(C)C(C)(C)O2)c(C[Si](C)C)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C22H37B2O5Si/c1-19(2)20(3,4)27-23(26-19)16-12-13-17(25-9)18(15(16)14-30(10)11)24-28-21(5,6)22(7,8)29-24/h12-13H,14H2,1-11H3
InChIKeyYMGRAMQDWAACSO-UHFFFAOYSA-N
XLogP3.13
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 136702031
2-(3-bromo-2,6-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138987118
CID 178071001
CID 178071001
2-(6-methoxy-1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 166057676
2-fluoro-4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 164892346
2-[4-(difluoromethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 86687755
2,3-dimethoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
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2-(3-iodo-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66915674
2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
CID 123532622
2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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Frequently Asked Questions

What is the IUPAC name of CID 119078132?
The IUPAC name of CID 119078132 (CID 119078132) is not available.
What is the SMILES notation for CID 119078132?
The canonical SMILES for CID 119078132 is COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C[Si](C)C)c1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of CID 119078132?
The InChIKey is YMGRAMQDWAACSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37B2O5Si/c1-19(2)20(3,4)27-23(26-19)16-12-13-17(25-9)18(15(16)14-30(10)11)24-28-21(5,6)22(7,8)29-24/h12-13H,14H2,1-11H3.
What are the key properties of CID 119078132?
CID 119078132 has a molecular weight of 431.24 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119078132 is sourced from PubChem (CID 119078132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).