CID 173017459

C6H19AlNaO4 — CID 173017459

IUPAC—
SMILESCOCCO[Al]OCCOC.[H-].[H][H].[H][H].[Na+]
InChIInChI=1S/2C3H7O2.Al.Na.2H2.H/c2*1-5-3-2-4;;;;;/h2*2-3H2,1H3;;;2*1H;/q2*-1;+2;+1;;;-1
InChIKeyVCGNTEYUMVUTDV-UHFFFAOYSA-N
MW205.19 g/mol
LogP-2.54
Rot. Bonds8

About CID 173017459

CID 173017459 (PubChem CID 173017459) has the molecular formula C6H19AlNaO4 and a molecular weight of 205.19 g/mol.

Molecular Properties

Compound NameCID 173017459
PubChem CID173017459
Molecular FormulaC6H19AlNaO4
Molecular Weight205.19 g/mol
Exact Mass205.10
IUPAC Name—
SMILESCOCCO[Al]OCCOC.[H-].[H][H].[H][H].[Na+]
InChIInChI=1S/2C3H7O2.Al.Na.2H2.H/c2*1-5-3-2-4;;;;;/h2*2-3H2,1H3;;;2*1H;/q2*-1;+2;+1;;;-1
InChIKeyVCGNTEYUMVUTDV-UHFFFAOYSA-N
XLogP-2.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 5-2.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 174702876
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CID 175079035
1,2-dimethoxyethane;nickel(2+);dichloride
CID 22904217
barium(2+);1,2-dimethoxyethane;dibromide
CID 173394585
sodium;hydride;1-methoxypropane
CID 174682746
1,2-dimethoxyethane;N-methylmethanamine
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1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189

Frequently Asked Questions

What is the IUPAC name of CID 173017459?
The IUPAC name of CID 173017459 (CID 173017459) is not available.
What is the SMILES notation for CID 173017459?
The canonical SMILES for CID 173017459 is COCCO[Al]OCCOC.[H-].[H][H].[H][H].[Na+].
What is the InChIKey of CID 173017459?
The InChIKey is VCGNTEYUMVUTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O2.Al.Na.2H2.H/c2*1-5-3-2-4;;;;;/h2*2-3H2,1H3;;;2*1H;/q2*-1;+2;+1;;;-1.
What are the key properties of CID 173017459?
CID 173017459 has a molecular weight of 205.19 g/mol, XLogP of -2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173017459 is sourced from PubChem (CID 173017459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).