CID 159368473

C10H19BO — CID 159368473

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?/m0/s1
InChIKeyAKTASDMQAPYFAS-QIIDTADFSA-N
MW166.07 g/mol
LogP2.49
Rot. Bonds3

About CID 159368473

CID 159368473 (PubChem CID 159368473) has the molecular formula C10H19BO and a molecular weight of 166.07 g/mol.

Molecular Properties

Compound NameCID 159368473
PubChem CID159368473
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?/m0/s1
InChIKeyAKTASDMQAPYFAS-QIIDTADFSA-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 159368473?
The IUPAC name of CID 159368473 (CID 159368473) is not available.
What is the SMILES notation for CID 159368473?
The canonical SMILES for CID 159368473 is [B][C@H]1C[C@H](C)C(CC)(CCC)O1.
What is the InChIKey of CID 159368473?
The InChIKey is AKTASDMQAPYFAS-QIIDTADFSA-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?/m0/s1.
What are the key properties of CID 159368473?
CID 159368473 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 159368473 is sourced from PubChem (CID 159368473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).