CID 178071001

C15H24BO2Si — CID 178071001

IUPAC—
SMILESC[Si](C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C15H24BO2Si/c1-14(2)15(3,4)18-16(17-14)13-9-7-12(8-10-13)11-19(5)6/h7-10H,11H2,1-6H3
InChIKeyPBDHIEXKBIYBIT-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.82
Rot. Bonds3

About CID 178071001

CID 178071001 (PubChem CID 178071001) has the molecular formula C15H24BO2Si and a molecular weight of 275.25 g/mol.

Molecular Properties

Compound NameCID 178071001
PubChem CID178071001
Molecular FormulaC15H24BO2Si
Molecular Weight275.25 g/mol
Exact Mass275.16
IUPAC Name—
SMILESC[Si](C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C15H24BO2Si/c1-14(2)15(3,4)18-16(17-14)13-9-7-12(8-10-13)11-19(5)6/h7-10H,11H2,1-6H3
InChIKeyPBDHIEXKBIYBIT-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.82
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

2-[4-(chloromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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2-[4-(2-chloroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176899707
4,4,5,5-tetramethyl-2-[4-(2-phenylethyl)phenyl]-1,3,2-dioxaborolane
CID 102447774
2-[4-[bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 175003958
2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopentane-1,3-dione
CID 135078656
ethane;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
CID 142330584
N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopentanamine
CID 56737728
2,3-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanenitrile
CID 155525430
2-[4-(5-bromopentyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 167995454
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]azetidine
CID 68594445
3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]azetidine
CID 177227279
methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 158702164

Frequently Asked Questions

What is the IUPAC name of CID 178071001?
The IUPAC name of CID 178071001 (CID 178071001) is not available.
What is the SMILES notation for CID 178071001?
The canonical SMILES for CID 178071001 is C[Si](C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of CID 178071001?
The InChIKey is PBDHIEXKBIYBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BO2Si/c1-14(2)15(3,4)18-16(17-14)13-9-7-12(8-10-13)11-19(5)6/h7-10H,11H2,1-6H3.
What are the key properties of CID 178071001?
CID 178071001 has a molecular weight of 275.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178071001 is sourced from PubChem (CID 178071001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).