CID 89064412

C10H17BO4 — CID 89064412

IUPAC—
SMILES[B]C1OC2(COC)COC2C1OC(C)C
InChIInChI=1S/C10H17BO4/c1-6(2)14-7-8-10(4-12-3,5-13-8)15-9(7)11/h6-9H,4-5H2,1-3H3
InChIKeyKUHMYWWSKLLSNF-UHFFFAOYSA-N
MW212.05 g/mol
LogP0.09
Rot. Bonds4

About CID 89064412

CID 89064412 (PubChem CID 89064412) has the molecular formula C10H17BO4 and a molecular weight of 212.05 g/mol.

Molecular Properties

Compound NameCID 89064412
PubChem CID89064412
Molecular FormulaC10H17BO4
Molecular Weight212.05 g/mol
Exact Mass212.12
IUPAC Name—
SMILES[B]C1OC2(COC)COC2C1OC(C)C
InChIInChI=1S/C10H17BO4/c1-6(2)14-7-8-10(4-12-3,5-13-8)15-9(7)11/h6-9H,4-5H2,1-3H3
InChIKeyKUHMYWWSKLLSNF-UHFFFAOYSA-N
XLogP0.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 89064412?
The IUPAC name of CID 89064412 (CID 89064412) is not available.
What is the SMILES notation for CID 89064412?
The canonical SMILES for CID 89064412 is [B]C1OC2(COC)COC2C1OC(C)C.
What is the InChIKey of CID 89064412?
The InChIKey is KUHMYWWSKLLSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BO4/c1-6(2)14-7-8-10(4-12-3,5-13-8)15-9(7)11/h6-9H,4-5H2,1-3H3.
What are the key properties of CID 89064412?
CID 89064412 has a molecular weight of 212.05 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89064412 is sourced from PubChem (CID 89064412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).