CID 21334029

C10H17K2O3+ — CID 21334029

IUPAC—
SMILESCCC(=O)C(C)(C)C1CCO[CH-]O1.[K+].[K+]
InChIInChI=1S/C10H17O3.2K/c1-4-8(11)10(2,3)9-5-6-12-7-13-9;;/h7,9H,4-6H2,1-3H3;;/q-1;2*+1
InChIKeyTWBIELIDSKBHMJ-UHFFFAOYSA-N
MW263.44 g/mol
LogP-4.08
Rot. Bonds3

About CID 21334029

CID 21334029 (PubChem CID 21334029) has the molecular formula C10H17K2O3+ and a molecular weight of 263.44 g/mol.

Molecular Properties

Compound NameCID 21334029
PubChem CID21334029
Molecular FormulaC10H17K2O3+
Molecular Weight263.44 g/mol
Exact Mass263.04
IUPAC Name—
SMILESCCC(=O)C(C)(C)C1CCO[CH-]O1.[K+].[K+]
InChIInChI=1S/C10H17O3.2K/c1-4-8(11)10(2,3)9-5-6-12-7-13-9;;/h7,9H,4-6H2,1-3H3;;/q-1;2*+1
InChIKeyTWBIELIDSKBHMJ-UHFFFAOYSA-N
XLogP-4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.44
LogP ≤ 5-4.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 21334029?
The IUPAC name of CID 21334029 (CID 21334029) is not available.
What is the SMILES notation for CID 21334029?
The canonical SMILES for CID 21334029 is CCC(=O)C(C)(C)C1CCO[CH-]O1.[K+].[K+].
What is the InChIKey of CID 21334029?
The InChIKey is TWBIELIDSKBHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O3.2K/c1-4-8(11)10(2,3)9-5-6-12-7-13-9;;/h7,9H,4-6H2,1-3H3;;/q-1;2*+1.
What are the key properties of CID 21334029?
CID 21334029 has a molecular weight of 263.44 g/mol, XLogP of -4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21334029 is sourced from PubChem (CID 21334029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).