CID 59824723

C15H27BO2 — CID 59824723

IUPAC—
SMILES[B][C@@H]1C=C[C@H](COC(C)(C)C)[C@@H](OC(C)(C)C)C1
InChIInChI=1S/C15H27BO2/c1-14(2,3)17-10-11-7-8-12(16)9-13(11)18-15(4,5)6/h7-8,11-13H,9-10H2,1-6H3/t11-,12-,13+/m1/s1
InChIKeyGKFCFQPFERHCED-UPJWGTAASA-N
MW250.19 g/mol
LogP3.52
Rot. Bonds3

About CID 59824723

CID 59824723 (PubChem CID 59824723) has the molecular formula C15H27BO2 and a molecular weight of 250.19 g/mol.

Molecular Properties

Compound NameCID 59824723
PubChem CID59824723
Molecular FormulaC15H27BO2
Molecular Weight250.19 g/mol
Exact Mass250.21
IUPAC Name—
SMILES[B][C@@H]1C=C[C@H](COC(C)(C)C)[C@@H](OC(C)(C)C)C1
InChIInChI=1S/C15H27BO2/c1-14(2,3)17-10-11-7-8-12(16)9-13(11)18-15(4,5)6/h7-8,11-13H,9-10H2,1-6H3/t11-,12-,13+/m1/s1
InChIKeyGKFCFQPFERHCED-UPJWGTAASA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59824723?
The IUPAC name of CID 59824723 (CID 59824723) is not available.
What is the SMILES notation for CID 59824723?
The canonical SMILES for CID 59824723 is [B][C@@H]1C=C[C@H](COC(C)(C)C)[C@@H](OC(C)(C)C)C1.
What is the InChIKey of CID 59824723?
The InChIKey is GKFCFQPFERHCED-UPJWGTAASA-N. The full InChI is InChI=1S/C15H27BO2/c1-14(2,3)17-10-11-7-8-12(16)9-13(11)18-15(4,5)6/h7-8,11-13H,9-10H2,1-6H3/t11-,12-,13+/m1/s1.
What are the key properties of CID 59824723?
CID 59824723 has a molecular weight of 250.19 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59824723 is sourced from PubChem (CID 59824723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).