1-butoxybutane;tris(vanadium)

C8H16OV3-2 — CID 162037301

IUPAC1-butoxybutane;tris(vanadium)
SMILESCC[CH-]COC[CH-]CC.[V].[V].[V]
InChIInChI=1S/C8H16O.3V/c1-3-5-7-9-8-6-4-2;;;/h5-6H,3-4,7-8H2,1-2H3;;;/q-2;;;
InChIKeyYHYKFFGHWQESHB-UHFFFAOYSA-N
MW281.05 g/mol
LogP2.22
Rot. Bonds6

About 1-butoxybutane;tris(vanadium)

1-butoxybutane;tris(vanadium) (PubChem CID 162037301) has the molecular formula C8H16OV3-2 and a molecular weight of 281.05 g/mol. Its IUPAC name is 1-butoxybutane;tris(vanadium).

Molecular Properties

Compound Name1-butoxybutane;tris(vanadium)
PubChem CID162037301
Molecular FormulaC8H16OV3-2
Molecular Weight281.05 g/mol
Exact Mass280.95
IUPAC Name1-butoxybutane;tris(vanadium)
SMILESCC[CH-]COC[CH-]CC.[V].[V].[V]
InChIInChI=1S/C8H16O.3V/c1-3-5-7-9-8-6-4-2;;;/h5-6H,3-4,7-8H2,1-2H3;;;/q-2;;;
InChIKeyYHYKFFGHWQESHB-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.05
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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zinc;heptane;bromide
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Frequently Asked Questions

What is the IUPAC name of 1-butoxybutane;tris(vanadium)?
The IUPAC name of 1-butoxybutane;tris(vanadium) (CID 162037301) is 1-butoxybutane;tris(vanadium).
What is the SMILES notation for 1-butoxybutane;tris(vanadium)?
The canonical SMILES for 1-butoxybutane;tris(vanadium) is CC[CH-]COC[CH-]CC.[V].[V].[V].
What is the InChIKey of 1-butoxybutane;tris(vanadium)?
The InChIKey is YHYKFFGHWQESHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.3V/c1-3-5-7-9-8-6-4-2;;;/h5-6H,3-4,7-8H2,1-2H3;;;/q-2;;;.
What are the key properties of 1-butoxybutane;tris(vanadium)?
1-butoxybutane;tris(vanadium) has a molecular weight of 281.05 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;tris(vanadium) is sourced from PubChem (CID 162037301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).