CID 58173253

C10H17BO — CID 58173253

IUPAC—
SMILES[B][C@@H]1O[C@@]2(CC)CCC[C@H]1C2C
InChIInChI=1S/C10H17BO/c1-3-10-6-4-5-8(7(10)2)9(11)12-10/h7-9H,3-6H2,1-2H3/t7?,8-,9+,10-/m0/s1
InChIKeyAKVIMBWNWQBGLH-UPBARMNASA-N
MW164.06 g/mol
LogP2.10
Rot. Bonds1

About CID 58173253

CID 58173253 (PubChem CID 58173253) has the molecular formula C10H17BO and a molecular weight of 164.06 g/mol.

Molecular Properties

Compound NameCID 58173253
PubChem CID58173253
Molecular FormulaC10H17BO
Molecular Weight164.06 g/mol
Exact Mass164.14
IUPAC Name—
SMILES[B][C@@H]1O[C@@]2(CC)CCC[C@H]1C2C
InChIInChI=1S/C10H17BO/c1-3-10-6-4-5-8(7(10)2)9(11)12-10/h7-9H,3-6H2,1-2H3/t7?,8-,9+,10-/m0/s1
InChIKeyAKVIMBWNWQBGLH-UPBARMNASA-N
XLogP2.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.06
LogP ≤ 52.10
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 58173253?
The IUPAC name of CID 58173253 (CID 58173253) is not available.
What is the SMILES notation for CID 58173253?
The canonical SMILES for CID 58173253 is [B][C@@H]1O[C@@]2(CC)CCC[C@H]1C2C.
What is the InChIKey of CID 58173253?
The InChIKey is AKVIMBWNWQBGLH-UPBARMNASA-N. The full InChI is InChI=1S/C10H17BO/c1-3-10-6-4-5-8(7(10)2)9(11)12-10/h7-9H,3-6H2,1-2H3/t7?,8-,9+,10-/m0/s1.
What are the key properties of CID 58173253?
CID 58173253 has a molecular weight of 164.06 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58173253 is sourced from PubChem (CID 58173253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).