sodium;2-butoxyethanol;perchlorate

C6H14ClNaO6 — CID 160950535

IUPACsodium;2-butoxyethanol;perchlorate
SMILESCCCCOCCO.[Na+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C6H14O2.ClHO4.Na/c1-2-3-5-8-6-4-7;2-1(3,4)5;/h7H,2-6H2,1H3;(H,2,3,4,5);/q;;+1/p-1
InChIKeyXXAFMJOZSCJHPS-UHFFFAOYSA-M
MW240.61 g/mol
LogP-6.96
Rot. Bonds5

About sodium;2-butoxyethanol;perchlorate

sodium;2-butoxyethanol;perchlorate (PubChem CID 160950535) has the molecular formula C6H14ClNaO6 and a molecular weight of 240.61 g/mol. Its IUPAC name is sodium;2-butoxyethanol;perchlorate.

Molecular Properties

Compound Namesodium;2-butoxyethanol;perchlorate
PubChem CID160950535
Molecular FormulaC6H14ClNaO6
Molecular Weight240.61 g/mol
Exact Mass240.04
IUPAC Namesodium;2-butoxyethanol;perchlorate
SMILESCCCCOCCO.[Na+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C6H14O2.ClHO4.Na/c1-2-3-5-8-6-4-7;2-1(3,4)5;/h7H,2-6H2,1H3;(H,2,3,4,5);/q;;+1/p-1
InChIKeyXXAFMJOZSCJHPS-UHFFFAOYSA-M
XLogP-6.96
TPSA121.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 5-6.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-butoxyethanol
CID 8133
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-butoxyethanol;molecular nitrogen
CID 86737982
2-butoxyethanol;ethanol;ethanolate;tantalum
CID 162354945
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
2-dodecoxyethanol
CID 24750
2-tetradecoxyethanol
CID 16491

Frequently Asked Questions

What is the IUPAC name of sodium;2-butoxyethanol;perchlorate?
The IUPAC name of sodium;2-butoxyethanol;perchlorate (CID 160950535) is sodium;2-butoxyethanol;perchlorate.
What is the SMILES notation for sodium;2-butoxyethanol;perchlorate?
The canonical SMILES for sodium;2-butoxyethanol;perchlorate is CCCCOCCO.[Na+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of sodium;2-butoxyethanol;perchlorate?
The InChIKey is XXAFMJOZSCJHPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14O2.ClHO4.Na/c1-2-3-5-8-6-4-7;2-1(3,4)5;/h7H,2-6H2,1H3;(H,2,3,4,5);/q;;+1/p-1.
What are the key properties of sodium;2-butoxyethanol;perchlorate?
sodium;2-butoxyethanol;perchlorate has a molecular weight of 240.61 g/mol, XLogP of -6.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-butoxyethanol;perchlorate is sourced from PubChem (CID 160950535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).