CID 156666839

C16H24BO5 — CID 156666839

IUPAC—
SMILESCOC(=O)c1c(C)cc([B]OC(C)(C)C(C)(C)O)cc1OC
InChIInChI=1S/C16H24BO5/c1-10-8-11(17-22-16(4,5)15(2,3)19)9-12(20-6)13(10)14(18)21-7/h8-9,19H,1-7H3
InChIKeyZGWKXEYTIDGDEH-UHFFFAOYSA-N
MW307.18 g/mol
LogP1.60
Rot. Bonds6

About CID 156666839

CID 156666839 (PubChem CID 156666839) has the molecular formula C16H24BO5 and a molecular weight of 307.18 g/mol.

Molecular Properties

Compound NameCID 156666839
PubChem CID156666839
Molecular FormulaC16H24BO5
Molecular Weight307.18 g/mol
Exact Mass307.17
IUPAC Name—
SMILESCOC(=O)c1c(C)cc([B]OC(C)(C)C(C)(C)O)cc1OC
InChIInChI=1S/C16H24BO5/c1-10-8-11(17-22-16(4,5)15(2,3)19)9-12(20-6)13(10)14(18)21-7/h8-9,19H,1-7H3
InChIKeyZGWKXEYTIDGDEH-UHFFFAOYSA-N
XLogP1.60
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 156666839?
The IUPAC name of CID 156666839 (CID 156666839) is not available.
What is the SMILES notation for CID 156666839?
The canonical SMILES for CID 156666839 is COC(=O)c1c(C)cc([B]OC(C)(C)C(C)(C)O)cc1OC.
What is the InChIKey of CID 156666839?
The InChIKey is ZGWKXEYTIDGDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BO5/c1-10-8-11(17-22-16(4,5)15(2,3)19)9-12(20-6)13(10)14(18)21-7/h8-9,19H,1-7H3.
What are the key properties of CID 156666839?
CID 156666839 has a molecular weight of 307.18 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156666839 is sourced from PubChem (CID 156666839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).