CID 134854537

C10H19BO — CID 134854537

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

About CID 134854537

CID 134854537 (PubChem CID 134854537) has the molecular formula C10H19BO and a molecular weight of 166.07 g/mol.

Molecular Properties

Compound NameCID 134854537
PubChem CID134854537
Molecular FormulaC10H19BO
Molecular Weight166.07 g/mol
Exact Mass166.15
IUPAC Name—
SMILES[B]C[C@H]1CC[C@@](C)(CO)C1(C)C
InChIInChI=1S/C10H19BO/c1-9(2)8(6-11)4-5-10(9,3)7-12/h8,12H,4-7H2,1-3H3/t8-,10+/m1/s1
InChIKeyMCHYWQOBAOMZFP-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 134854537?
The IUPAC name of CID 134854537 (CID 134854537) is not available.
What is the SMILES notation for CID 134854537?
The canonical SMILES for CID 134854537 is [B]C[C@H]1CC[C@@](C)(CO)C1(C)C.
What is the InChIKey of CID 134854537?
The InChIKey is MCHYWQOBAOMZFP-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H19BO/c1-9(2)8(6-11)4-5-10(9,3)7-12/h8,12H,4-7H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of CID 134854537?
CID 134854537 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 134854537 is sourced from PubChem (CID 134854537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).