CID 57211376

C24H30BO2 — CID 57211376

IUPAC—
SMILESCC1(C)CCCc2cc(O[B]Oc3ccc4c(c3)CCCC4(C)C)ccc21
InChIInChI=1S/C24H30BO2/c1-23(2)13-5-7-17-15-19(9-11-21(17)23)26-25-27-20-10-12-22-18(16-20)8-6-14-24(22,3)4/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyGONLSYGMRHKBOK-UHFFFAOYSA-N
MW361.31 g/mol
LogP5.91
Rot. Bonds4

About CID 57211376

CID 57211376 (PubChem CID 57211376) has the molecular formula C24H30BO2 and a molecular weight of 361.31 g/mol.

Molecular Properties

Compound NameCID 57211376
PubChem CID57211376
Molecular FormulaC24H30BO2
Molecular Weight361.31 g/mol
Exact Mass361.23
IUPAC Name—
SMILESCC1(C)CCCc2cc(O[B]Oc3ccc4c(c3)CCCC4(C)C)ccc21
InChIInChI=1S/C24H30BO2/c1-23(2)13-5-7-17-15-19(9-11-21(17)23)26-25-27-20-10-12-22-18(16-20)8-6-14-24(22,3)4/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyGONLSYGMRHKBOK-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.31
LogP ≤ 55.91
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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Frequently Asked Questions

What is the IUPAC name of CID 57211376?
The IUPAC name of CID 57211376 (CID 57211376) is not available.
What is the SMILES notation for CID 57211376?
The canonical SMILES for CID 57211376 is CC1(C)CCCc2cc(O[B]Oc3ccc4c(c3)CCCC4(C)C)ccc21.
What is the InChIKey of CID 57211376?
The InChIKey is GONLSYGMRHKBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BO2/c1-23(2)13-5-7-17-15-19(9-11-21(17)23)26-25-27-20-10-12-22-18(16-20)8-6-14-24(22,3)4/h9-12,15-16H,5-8,13-14H2,1-4H3.
What are the key properties of CID 57211376?
CID 57211376 has a molecular weight of 361.31 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57211376 is sourced from PubChem (CID 57211376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).