CID 153293117

C20H34B2O4 — CID 153293117

IUPAC—
SMILESCc1c([B]OC(C)(C)C(C)(C)O)ccc([B]OC(C)(C)C(C)(C)O)c1C
InChIInChI=1S/C20H34B2O4/c1-13-14(2)16(22-26-20(9,10)18(5,6)24)12-11-15(13)21-25-19(7,8)17(3,4)23/h11-12,23-24H,1-10H3
InChIKeyXDRKZRYYRSWEIJ-UHFFFAOYSA-N
MW360.11 g/mol
LogP1.92
Rot. Bonds8

About CID 153293117

CID 153293117 (PubChem CID 153293117) has the molecular formula C20H34B2O4 and a molecular weight of 360.11 g/mol.

Molecular Properties

Compound NameCID 153293117
PubChem CID153293117
Molecular FormulaC20H34B2O4
Molecular Weight360.11 g/mol
Exact Mass360.26
IUPAC Name—
SMILESCc1c([B]OC(C)(C)C(C)(C)O)ccc([B]OC(C)(C)C(C)(C)O)c1C
InChIInChI=1S/C20H34B2O4/c1-13-14(2)16(22-26-20(9,10)18(5,6)24)12-11-15(13)21-25-19(7,8)17(3,4)23/h11-12,23-24H,1-10H3
InChIKeyXDRKZRYYRSWEIJ-UHFFFAOYSA-N
XLogP1.92
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.11
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153293117?
The IUPAC name of CID 153293117 (CID 153293117) is not available.
What is the SMILES notation for CID 153293117?
The canonical SMILES for CID 153293117 is Cc1c([B]OC(C)(C)C(C)(C)O)ccc([B]OC(C)(C)C(C)(C)O)c1C.
What is the InChIKey of CID 153293117?
The InChIKey is XDRKZRYYRSWEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34B2O4/c1-13-14(2)16(22-26-20(9,10)18(5,6)24)12-11-15(13)21-25-19(7,8)17(3,4)23/h11-12,23-24H,1-10H3.
What are the key properties of CID 153293117?
CID 153293117 has a molecular weight of 360.11 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153293117 is sourced from PubChem (CID 153293117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).