CID 11179930

C17H20O7W+ — CID 11179930

IUPAC—
SMILES[C-]#C[C@@H](OCOC)[C@H](C)OCOC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[W+2]
InChIInChI=1S/C9H15O4.C5H5.3CO.W/c1-5-9(13-7-11-4)8(2)12-6-10-3;1-2-4-5-3-1;3*1-2;/h8-9H,6-7H2,2-4H3;1-5H;;;;/q-1;;;;;+2/t8-,9+;;;;;/m0...../s1
InChIKeyGEXJHBHPBFVFNY-POTWGEDMSA-N
MW520.18 g/mol
LogP1.48
Rot. Bonds7

About CID 11179930

CID 11179930 (PubChem CID 11179930) has the molecular formula C17H20O7W+ and a molecular weight of 520.18 g/mol.

Molecular Properties

Compound NameCID 11179930
PubChem CID11179930
Molecular FormulaC17H20O7W+
Molecular Weight520.18 g/mol
Exact Mass520.07
IUPAC Name—
SMILES[C-]#C[C@@H](OCOC)[C@H](C)OCOC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[W+2]
InChIInChI=1S/C9H15O4.C5H5.3CO.W/c1-5-9(13-7-11-4)8(2)12-6-10-3;1-2-4-5-3-1;3*1-2;/h8-9H,6-7H2,2-4H3;1-5H;;;;/q-1;;;;;+2/t8-,9+;;;;;/m0...../s1
InChIKeyGEXJHBHPBFVFNY-POTWGEDMSA-N
XLogP1.48
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.18
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11179930?
The IUPAC name of CID 11179930 (CID 11179930) is not available.
What is the SMILES notation for CID 11179930?
The canonical SMILES for CID 11179930 is [C-]#C[C@@H](OCOC)[C@H](C)OCOC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[W+2].
What is the InChIKey of CID 11179930?
The InChIKey is GEXJHBHPBFVFNY-POTWGEDMSA-N. The full InChI is InChI=1S/C9H15O4.C5H5.3CO.W/c1-5-9(13-7-11-4)8(2)12-6-10-3;1-2-4-5-3-1;3*1-2;/h8-9H,6-7H2,2-4H3;1-5H;;;;/q-1;;;;;+2/t8-,9+;;;;;/m0...../s1.
What are the key properties of CID 11179930?
CID 11179930 has a molecular weight of 520.18 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11179930 is sourced from PubChem (CID 11179930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).