2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron

C10H17FeO- — CID 59910275

IUPAC2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron
SMILESCC(C)=[C-]OCC(C)=C(C)C.[Fe]
InChIInChI=1S/C10H17O.Fe/c1-8(2)6-11-7-10(5)9(3)4;/h7H2,1-5H3;/q-1;
InChIKeyPGRSMBIIODEYCV-UHFFFAOYSA-N
MW209.09 g/mol
LogP3.08
Rot. Bonds3

About 2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron

2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron (PubChem CID 59910275) has the molecular formula C10H17FeO- and a molecular weight of 209.09 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron
PubChem CID59910275
Molecular FormulaC10H17FeO-
Molecular Weight209.09 g/mol
Exact Mass209.06
IUPAC Name2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron
SMILESCC(C)=[C-]OCC(C)=C(C)C.[Fe]
InChIInChI=1S/C10H17O.Fe/c1-8(2)6-11-7-10(5)9(3)4;/h7H2,1-5H3;/q-1;
InChIKeyPGRSMBIIODEYCV-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.09
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron?
The IUPAC name of 2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron (CID 59910275) is 2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron.
What is the SMILES notation for 2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron?
The canonical SMILES for 2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron is CC(C)=[C-]OCC(C)=C(C)C.[Fe].
What is the InChIKey of 2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron?
The InChIKey is PGRSMBIIODEYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O.Fe/c1-8(2)6-11-7-10(5)9(3)4;/h7H2,1-5H3;/q-1;.
What are the key properties of 2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron?
2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron has a molecular weight of 209.09 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-methylprop-1-enoxy)but-2-ene;iron is sourced from PubChem (CID 59910275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).