CID 88935963

C15H27BO3 — CID 88935963

IUPAC—
SMILES[B]CCC[C@@H]1OC(C)(C)O[C@@H]1C/C=C\[C@@H](C)[C@H](C)O
InChIInChI=1S/C15H27BO3/c1-11(12(2)17)7-5-8-13-14(9-6-10-16)19-15(3,4)18-13/h5,7,11-14,17H,6,8-10H2,1-4H3/b7-5-/t11-,12+,13-,14+/m1/s1
InChIKeyFIZIRVNHTOUESQ-FSWKRUSESA-N
MW266.19 g/mol
LogP2.84
Rot. Bonds7

About CID 88935963

CID 88935963 (PubChem CID 88935963) has the molecular formula C15H27BO3 and a molecular weight of 266.19 g/mol.

Molecular Properties

Compound NameCID 88935963
PubChem CID88935963
Molecular FormulaC15H27BO3
Molecular Weight266.19 g/mol
Exact Mass266.21
IUPAC Name—
SMILES[B]CCC[C@@H]1OC(C)(C)O[C@@H]1C/C=C\[C@@H](C)[C@H](C)O
InChIInChI=1S/C15H27BO3/c1-11(12(2)17)7-5-8-13-14(9-6-10-16)19-15(3,4)18-13/h5,7,11-14,17H,6,8-10H2,1-4H3/b7-5-/t11-,12+,13-,14+/m1/s1
InChIKeyFIZIRVNHTOUESQ-FSWKRUSESA-N
XLogP2.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 88935963?
The IUPAC name of CID 88935963 (CID 88935963) is not available.
What is the SMILES notation for CID 88935963?
The canonical SMILES for CID 88935963 is [B]CCC[C@@H]1OC(C)(C)O[C@@H]1C/C=C\[C@@H](C)[C@H](C)O.
What is the InChIKey of CID 88935963?
The InChIKey is FIZIRVNHTOUESQ-FSWKRUSESA-N. The full InChI is InChI=1S/C15H27BO3/c1-11(12(2)17)7-5-8-13-14(9-6-10-16)19-15(3,4)18-13/h5,7,11-14,17H,6,8-10H2,1-4H3/b7-5-/t11-,12+,13-,14+/m1/s1.
What are the key properties of CID 88935963?
CID 88935963 has a molecular weight of 266.19 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88935963 is sourced from PubChem (CID 88935963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).