CID 58173252

C10H19BO — CID 58173252

IUPAC—
SMILES[B][C@H]1C[C@@H](C)C(CC)(CCC)O1
InChIInChI=1S/C10H19BO/c1-4-6-10(5-2)8(3)7-9(11)12-10/h8-9H,4-7H2,1-3H3/t8-,9-,10?/m1/s1
InChIKeyAKTASDMQAPYFAS-MGRQHWMJSA-N
MW166.07 g/mol
LogP2.49
Rot. Bonds3

About CID 58173252

CID 58173252 (PubChem CID 58173252) has the molecular formula C10H19BO and a molecular weight of 166.07 g/mol.

Molecular Properties

Compound NameCID 58173252
PubChem CID58173252
Molecular FormulaC10H19BO
Molecular Weight166.07 g/mol
Exact Mass166.15
IUPAC Name—
SMILES[B][C@H]1C[C@@H](C)C(CC)(CCC)O1
InChIInChI=1S/C10H19BO/c1-4-6-10(5-2)8(3)7-9(11)12-10/h8-9H,4-7H2,1-3H3/t8-,9-,10?/m1/s1
InChIKeyAKTASDMQAPYFAS-MGRQHWMJSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.07
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 58173252?
The IUPAC name of CID 58173252 (CID 58173252) is not available.
What is the SMILES notation for CID 58173252?
The canonical SMILES for CID 58173252 is [B][C@H]1C[C@@H](C)C(CC)(CCC)O1.
What is the InChIKey of CID 58173252?
The InChIKey is AKTASDMQAPYFAS-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H19BO/c1-4-6-10(5-2)8(3)7-9(11)12-10/h8-9H,4-7H2,1-3H3/t8-,9-,10?/m1/s1.
What are the key properties of CID 58173252?
CID 58173252 has a molecular weight of 166.07 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58173252 is sourced from PubChem (CID 58173252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).