CID 10094759

C19H29O6+ — CID 10094759

IUPAC—
SMILESc1cc2cc(c[cH+]1)COCCOCCOCCOCCOCCOC2
InChIInChI=1S/C19H29O6/c1-2-4-19-15-18(3-1)16-24-13-11-22-9-7-20-5-6-21-8-10-23-12-14-25-17-19/h1-4,15H,5-14,16-17H2/q+1
InChIKeyHTDZWOJCYNDIJH-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.08
Rot. Bonds

About CID 10094759

CID 10094759 (PubChem CID 10094759) has the molecular formula C19H29O6+ and a molecular weight of 353.44 g/mol.

Molecular Properties

Compound NameCID 10094759
PubChem CID10094759
Molecular FormulaC19H29O6+
Molecular Weight353.44 g/mol
Exact Mass353.20
IUPAC Name—
SMILESc1cc2cc(c[cH+]1)COCCOCCOCCOCCOCCOC2
InChIInChI=1S/C19H29O6/c1-2-4-19-15-18(3-1)16-24-13-11-22-9-7-20-5-6-21-8-10-23-12-14-25-17-19/h1-4,15H,5-14,16-17H2/q+1
InChIKeyHTDZWOJCYNDIJH-UHFFFAOYSA-N
XLogP2.08
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 10094759?
The IUPAC name of CID 10094759 (CID 10094759) is not available.
What is the SMILES notation for CID 10094759?
The canonical SMILES for CID 10094759 is c1cc2cc(c[cH+]1)COCCOCCOCCOCCOCCOC2.
What is the InChIKey of CID 10094759?
The InChIKey is HTDZWOJCYNDIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29O6/c1-2-4-19-15-18(3-1)16-24-13-11-22-9-7-20-5-6-21-8-10-23-12-14-25-17-19/h1-4,15H,5-14,16-17H2/q+1.
What are the key properties of CID 10094759?
CID 10094759 has a molecular weight of 353.44 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10094759 is sourced from PubChem (CID 10094759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).