2-butoxyethanol;ethanol;ethanolate;tantalum

C16H43O7Ta- — CID 162354945

IUPAC2-butoxyethanol;ethanol;ethanolate;tantalum
SMILESCCCCOCCO.CCO.CCO.CCO.CCO.CC[O-].[Ta]
InChIInChI=1S/C6H14O2.4C2H6O.C2H5O.Ta/c1-2-3-5-8-6-4-7;5*1-2-3;/h7H,2-6H2,1H3;4*3H,2H2,1H3;2H2,1H3;/q;;;;;-1;
InChIKeyBVFFBQCBYGVLGV-UHFFFAOYSA-N
MW528.46 g/mol
LogP0.15
Rot. Bonds5

About 2-butoxyethanol;ethanol;ethanolate;tantalum

2-butoxyethanol;ethanol;ethanolate;tantalum (PubChem CID 162354945) has the molecular formula C16H43O7Ta- and a molecular weight of 528.46 g/mol. Its IUPAC name is 2-butoxyethanol;ethanol;ethanolate;tantalum.

Molecular Properties

Compound Name2-butoxyethanol;ethanol;ethanolate;tantalum
PubChem CID162354945
Molecular FormulaC16H43O7Ta-
Molecular Weight528.46 g/mol
Exact Mass528.25
IUPAC Name2-butoxyethanol;ethanol;ethanolate;tantalum
SMILESCCCCOCCO.CCO.CCO.CCO.CCO.CC[O-].[Ta]
InChIInChI=1S/C6H14O2.4C2H6O.C2H5O.Ta/c1-2-3-5-8-6-4-7;5*1-2-3;/h7H,2-6H2,1H3;4*3H,2H2,1H3;2H2,1H3;/q;;;;;-1;
InChIKeyBVFFBQCBYGVLGV-UHFFFAOYSA-N
XLogP0.15
TPSA133.44 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.46
LogP ≤ 50.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-butoxyethanol
CID 8133
sodium;2-butoxyethanol;perchlorate
CID 160950535
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
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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-[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-butoxyethanol;1,3,5,2,4,6-trioxatrisilinane
CID 174848492
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939
2-tetradecoxyethanol
CID 16491

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethanol;ethanol;ethanolate;tantalum?
The IUPAC name of 2-butoxyethanol;ethanol;ethanolate;tantalum (CID 162354945) is 2-butoxyethanol;ethanol;ethanolate;tantalum.
What is the SMILES notation for 2-butoxyethanol;ethanol;ethanolate;tantalum?
The canonical SMILES for 2-butoxyethanol;ethanol;ethanolate;tantalum is CCCCOCCO.CCO.CCO.CCO.CCO.CC[O-].[Ta].
What is the InChIKey of 2-butoxyethanol;ethanol;ethanolate;tantalum?
The InChIKey is BVFFBQCBYGVLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.4C2H6O.C2H5O.Ta/c1-2-3-5-8-6-4-7;5*1-2-3;/h7H,2-6H2,1H3;4*3H,2H2,1H3;2H2,1H3;/q;;;;;-1;.
What are the key properties of 2-butoxyethanol;ethanol;ethanolate;tantalum?
2-butoxyethanol;ethanol;ethanolate;tantalum has a molecular weight of 528.46 g/mol, XLogP of 0.15, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethanol;ethanol;ethanolate;tantalum is sourced from PubChem (CID 162354945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).