CID 90708485

C14H29BO3+ — CID 90708485

IUPAC—
SMILESC[C+]([B]OC(C)(C)C(C)(C)O)C(C)(C)C(C)(C)O
InChIInChI=1S/C14H29BO3/c1-10(11(2,3)12(4,5)16)15-18-14(8,9)13(6,7)17/h16-17H,1-9H3/q+1
InChIKeyWJQMLZLLHGDJRH-UHFFFAOYSA-N
MW256.19 g/mol
LogP2.52
Rot. Bonds6

About CID 90708485

CID 90708485 (PubChem CID 90708485) has the molecular formula C14H29BO3+ and a molecular weight of 256.19 g/mol.

Molecular Properties

Compound NameCID 90708485
PubChem CID90708485
Molecular FormulaC14H29BO3+
Molecular Weight256.19 g/mol
Exact Mass256.22
IUPAC Name—
SMILESC[C+]([B]OC(C)(C)C(C)(C)O)C(C)(C)C(C)(C)O
InChIInChI=1S/C14H29BO3/c1-10(11(2,3)12(4,5)16)15-18-14(8,9)13(6,7)17/h16-17H,1-9H3/q+1
InChIKeyWJQMLZLLHGDJRH-UHFFFAOYSA-N
XLogP2.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90708485?
The IUPAC name of CID 90708485 (CID 90708485) is not available.
What is the SMILES notation for CID 90708485?
The canonical SMILES for CID 90708485 is C[C+]([B]OC(C)(C)C(C)(C)O)C(C)(C)C(C)(C)O.
What is the InChIKey of CID 90708485?
The InChIKey is WJQMLZLLHGDJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BO3/c1-10(11(2,3)12(4,5)16)15-18-14(8,9)13(6,7)17/h16-17H,1-9H3/q+1.
What are the key properties of CID 90708485?
CID 90708485 has a molecular weight of 256.19 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90708485 is sourced from PubChem (CID 90708485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).