CID 123923765

C10H17BO4 — CID 123923765

IUPAC—
SMILES[B]C1CC(OCCO)C2OC(C)(C)OC12
InChIInChI=1S/C10H17BO4/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12/h6-9,12H,3-5H2,1-2H3
InChIKeyJCBTTWNFTIWEQB-UHFFFAOYSA-N
MW212.05 g/mol
LogP0.24
Rot. Bonds3

About CID 123923765

CID 123923765 (PubChem CID 123923765) has the molecular formula C10H17BO4 and a molecular weight of 212.05 g/mol.

Molecular Properties

Compound NameCID 123923765
PubChem CID123923765
Molecular FormulaC10H17BO4
Molecular Weight212.05 g/mol
Exact Mass212.12
IUPAC Name—
SMILES[B]C1CC(OCCO)C2OC(C)(C)OC12
InChIInChI=1S/C10H17BO4/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12/h6-9,12H,3-5H2,1-2H3
InChIKeyJCBTTWNFTIWEQB-UHFFFAOYSA-N
XLogP0.24
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 50.24
H-Bond Donors ≤ 51
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 123923765?
The IUPAC name of CID 123923765 (CID 123923765) is not available.
What is the SMILES notation for CID 123923765?
The canonical SMILES for CID 123923765 is [B]C1CC(OCCO)C2OC(C)(C)OC12.
What is the InChIKey of CID 123923765?
The InChIKey is JCBTTWNFTIWEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BO4/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12/h6-9,12H,3-5H2,1-2H3.
What are the key properties of CID 123923765?
CID 123923765 has a molecular weight of 212.05 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123923765 is sourced from PubChem (CID 123923765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).