CID 59483155

C9H15O2U- — CID 59483155

IUPAC—
SMILESCC[C@@]12C[C@H](C)[C@H]([CH-]O1)[C@@H]2O.[U]
InChIInChI=1S/C9H15O2.U/c1-3-9-4-6(2)7(5-11-9)8(9)10;/h5-8,10H,3-4H2,1-2H3;/q-1;/t6-,7-,8-,9-;/m0./s1
InChIKeyGHBAQLQLIAHZOG-GONFKSLHSA-N
MW393.25 g/mol
LogP1.34
Rot. Bonds1

About CID 59483155

CID 59483155 (PubChem CID 59483155) has the molecular formula C9H15O2U- and a molecular weight of 393.25 g/mol.

Molecular Properties

Compound NameCID 59483155
PubChem CID59483155
Molecular FormulaC9H15O2U-
Molecular Weight393.25 g/mol
Exact Mass393.16
IUPAC Name—
SMILESCC[C@@]12C[C@H](C)[C@H]([CH-]O1)[C@@H]2O.[U]
InChIInChI=1S/C9H15O2.U/c1-3-9-4-6(2)7(5-11-9)8(9)10;/h5-8,10H,3-4H2,1-2H3;/q-1;/t6-,7-,8-,9-;/m0./s1
InChIKeyGHBAQLQLIAHZOG-GONFKSLHSA-N
XLogP1.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59483155?
The IUPAC name of CID 59483155 (CID 59483155) is not available.
What is the SMILES notation for CID 59483155?
The canonical SMILES for CID 59483155 is CC[C@@]12C[C@H](C)[C@H]([CH-]O1)[C@@H]2O.[U].
What is the InChIKey of CID 59483155?
The InChIKey is GHBAQLQLIAHZOG-GONFKSLHSA-N. The full InChI is InChI=1S/C9H15O2.U/c1-3-9-4-6(2)7(5-11-9)8(9)10;/h5-8,10H,3-4H2,1-2H3;/q-1;/t6-,7-,8-,9-;/m0./s1.
What are the key properties of CID 59483155?
CID 59483155 has a molecular weight of 393.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59483155 is sourced from PubChem (CID 59483155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).