CID 134970990

C10H19BO — CID 134970990

IUPAC—
SMILES[B]C[C@]1(C)CC[C@H](CO)C1(C)C
InChIInChI=1S/C10H19BO/c1-9(2)8(6-12)4-5-10(9,3)7-11/h8,12H,4-7H2,1-3H3/t8-,10+/m1/s1
InChIKeyUKMQWLWSXFUKQZ-SCZZXKLOSA-N
MW166.07 g/mol
LogP2.01
Rot. Bonds2

About CID 134970990

CID 134970990 (PubChem CID 134970990) has the molecular formula C10H19BO and a molecular weight of 166.07 g/mol.

Molecular Properties

Compound NameCID 134970990
PubChem CID134970990
Molecular FormulaC10H19BO
Molecular Weight166.07 g/mol
Exact Mass166.15
IUPAC Name—
SMILES[B]C[C@]1(C)CC[C@H](CO)C1(C)C
InChIInChI=1S/C10H19BO/c1-9(2)8(6-12)4-5-10(9,3)7-11/h8,12H,4-7H2,1-3H3/t8-,10+/m1/s1
InChIKeyUKMQWLWSXFUKQZ-SCZZXKLOSA-N
XLogP2.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.07
LogP ≤ 52.01
H-Bond Donors ≤ 51
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 134970990?
The IUPAC name of CID 134970990 (CID 134970990) is not available.
What is the SMILES notation for CID 134970990?
The canonical SMILES for CID 134970990 is [B]C[C@]1(C)CC[C@H](CO)C1(C)C.
What is the InChIKey of CID 134970990?
The InChIKey is UKMQWLWSXFUKQZ-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H19BO/c1-9(2)8(6-12)4-5-10(9,3)7-11/h8,12H,4-7H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of CID 134970990?
CID 134970990 has a molecular weight of 166.07 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134970990 is sourced from PubChem (CID 134970990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).