CID 131579330

C14H22BO2Si — CID 131579330

IUPAC—
SMILESC[Si](C)c1ccccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H22BO2Si/c1-13(2)14(3,4)17-15(16-13)11-9-7-8-10-12(11)18(5)6/h7-10H,1-6H3
InChIKeyPKAIYKDGMJQVKP-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.95
Rot. Bonds2

About CID 131579330

CID 131579330 (PubChem CID 131579330) has the molecular formula C14H22BO2Si and a molecular weight of 261.23 g/mol.

Molecular Properties

Compound NameCID 131579330
PubChem CID131579330
Molecular FormulaC14H22BO2Si
Molecular Weight261.23 g/mol
Exact Mass261.15
IUPAC Name—
SMILESC[Si](C)c1ccccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H22BO2Si/c1-13(2)14(3,4)17-15(16-13)11-9-7-8-10-12(11)18(5)6/h7-10H,1-6H3
InChIKeyPKAIYKDGMJQVKP-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane
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[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 53217104
4,4,5,5-tetramethyl-2-(2-propan-2-ylsulfonylphenyl)-1,3,2-dioxaborolane
CID 127262602
4,4,5,5-tetramethyl-2-[4-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 122382855
(1R)-1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanamine
CID 99774998
4,4,5,5-tetramethyl-2-(2-prop-1-ynylphenyl)-1,3,2-dioxaborolane
CID 155819607
4,4,5,5-tetramethyl-2-[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane
CID 140933550
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
CID 175127785
CID 175127785
[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidenehydrazine
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Frequently Asked Questions

What is the IUPAC name of CID 131579330?
The IUPAC name of CID 131579330 (CID 131579330) is not available.
What is the SMILES notation for CID 131579330?
The canonical SMILES for CID 131579330 is C[Si](C)c1ccccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of CID 131579330?
The InChIKey is PKAIYKDGMJQVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BO2Si/c1-13(2)14(3,4)17-15(16-13)11-9-7-8-10-12(11)18(5)6/h7-10H,1-6H3.
What are the key properties of CID 131579330?
CID 131579330 has a molecular weight of 261.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131579330 is sourced from PubChem (CID 131579330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).