1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+)

C11H14OV — CID 21056979

IUPAC1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+)
SMILES[CH2-]Oc1[c-]ccc(C(C)(C)C)c1.[V+2]
InChIInChI=1S/C11H14O.V/c1-11(2,3)9-6-5-7-10(8-9)12-4;/h5-6,8H,4H2,1-3H3;/q-2;+2
InChIKeyYRXSPASYZABNHP-UHFFFAOYSA-N
MW213.18 g/mol
LogP2.95
Rot. Bonds1

About 1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+)

1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+) (PubChem CID 21056979) has the molecular formula C11H14OV and a molecular weight of 213.18 g/mol. Its IUPAC name is 1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+).

Molecular Properties

Compound Name1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+)
PubChem CID21056979
Molecular FormulaC11H14OV
Molecular Weight213.18 g/mol
Exact Mass213.05
IUPAC Name1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+)
SMILES[CH2-]Oc1[c-]ccc(C(C)(C)C)c1.[V+2]
InChIInChI=1S/C11H14O.V/c1-11(2,3)9-6-5-7-10(8-9)12-4;/h5-6,8H,4H2,1-3H3;/q-2;+2
InChIKeyYRXSPASYZABNHP-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+)?
The IUPAC name of 1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+) (CID 21056979) is 1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+).
What is the SMILES notation for 1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+)?
The canonical SMILES for 1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+) is [CH2-]Oc1[c-]ccc(C(C)(C)C)c1.[V+2].
What is the InChIKey of 1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+)?
The InChIKey is YRXSPASYZABNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.V/c1-11(2,3)9-6-5-7-10(8-9)12-4;/h5-6,8H,4H2,1-3H3;/q-2;+2.
What are the key properties of 1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+)?
1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+) has a molecular weight of 213.18 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methanidyloxybenzene-4-ide;vanadium(2+) is sourced from PubChem (CID 21056979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).