CID 175127785

C14H16BO2Si — CID 175127785

IUPAC—
SMILESCC1(C)OB(c2ccccc2C#C[Si])OC1(C)C
InChIInChI=1S/C14H16BO2Si/c1-13(2)14(3,4)17-15(16-13)12-8-6-5-7-11(12)9-10-18/h5-8H,1-4H3
InChIKeyRQHYUIRXFSWZMJ-UHFFFAOYSA-N
MW255.18 g/mol
LogP1.46
Rot. Bonds1

About CID 175127785

CID 175127785 (PubChem CID 175127785) has the molecular formula C14H16BO2Si and a molecular weight of 255.18 g/mol.

Molecular Properties

Compound NameCID 175127785
PubChem CID175127785
Molecular FormulaC14H16BO2Si
Molecular Weight255.18 g/mol
Exact Mass255.10
IUPAC Name—
SMILESCC1(C)OB(c2ccccc2C#C[Si])OC1(C)C
InChIInChI=1S/C14H16BO2Si/c1-13(2)14(3,4)17-15(16-13)12-8-6-5-7-11(12)9-10-18/h5-8H,1-4H3
InChIKeyRQHYUIRXFSWZMJ-UHFFFAOYSA-N
XLogP1.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-(2-prop-1-ynylphenyl)-1,3,2-dioxaborolane
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5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carbonitrile
CID 130141690
CID 131579330
CID 131579330
bromozinc(1+);2-(2-methanidylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146002621
[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 53217104
4,4,5,5-tetramethyl-2-[4-(2-phenylethynyl)phenyl]-1,3,2-dioxaborolane
CID 57416880
(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-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane
CID 140933550
3-(2-phenylethynyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 163817382
4,4,5,5-tetramethyl-2-(9H-thioxanthen-1-yl)-1,3,2-dioxaborolane
CID 91546607
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

Frequently Asked Questions

What is the IUPAC name of CID 175127785?
The IUPAC name of CID 175127785 (CID 175127785) is not available.
What is the SMILES notation for CID 175127785?
The canonical SMILES for CID 175127785 is CC1(C)OB(c2ccccc2C#C[Si])OC1(C)C.
What is the InChIKey of CID 175127785?
The InChIKey is RQHYUIRXFSWZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BO2Si/c1-13(2)14(3,4)17-15(16-13)12-8-6-5-7-11(12)9-10-18/h5-8H,1-4H3.
What are the key properties of CID 175127785?
CID 175127785 has a molecular weight of 255.18 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175127785 is sourced from PubChem (CID 175127785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).