(Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron

C11H18FFe3O- — CID 59078962

IUPAC(Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron
SMILES[CH2-]C(OC(C)=C(C)C)/C(C)=C(/C)F.[Fe].[Fe].[Fe]
InChIInChI=1S/C11H18FO.3Fe/c1-7(2)10(5)13-11(6)8(3)9(4)12;;;/h11H,6H2,1-5H3;;;/q-1;;;/b9-8-;;;
InChIKeyZCEKYSIDAPBNFD-DQNNFYOXSA-N
MW352.80 g/mol
LogP3.78
Rot. Bonds3

About (Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron

(Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron (PubChem CID 59078962) has the molecular formula C11H18FFe3O- and a molecular weight of 352.80 g/mol. Its IUPAC name is (Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron.

Molecular Properties

Compound Name(Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron
PubChem CID59078962
Molecular FormulaC11H18FFe3O-
Molecular Weight352.80 g/mol
Exact Mass352.94
IUPAC Name(Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron
SMILES[CH2-]C(OC(C)=C(C)C)/C(C)=C(/C)F.[Fe].[Fe].[Fe]
InChIInChI=1S/C11H18FO.3Fe/c1-7(2)10(5)13-11(6)8(3)9(4)12;;;/h11H,6H2,1-5H3;;;/q-1;;;/b9-8-;;;
InChIKeyZCEKYSIDAPBNFD-DQNNFYOXSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 53.78
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'}

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Related Compounds

(Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene
CID 59078963
2,3,4,5,6-pentamethyl-2H-pyran
CID 89042210
2,4-Dimethoxy-3-methylpent-2-ene
CID 91050234
Ethane;4-ethoxy-2,3-dimethylpent-2-ene
CID 168259873
ethane;5-fluoro-4,6-dimethyl-3,6-dihydro-2H-pyran
CID 168262428
4-Ethoxy-2,3-dimethylpent-2-ene
CID 168259874

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron?
The IUPAC name of (Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron (CID 59078962) is (Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron.
What is the SMILES notation for (Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron?
The canonical SMILES for (Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron is [CH2-]C(OC(C)=C(C)C)/C(C)=C(/C)F.[Fe].[Fe].[Fe].
What is the InChIKey of (Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron?
The InChIKey is ZCEKYSIDAPBNFD-DQNNFYOXSA-N. The full InChI is InChI=1S/C11H18FO.3Fe/c1-7(2)10(5)13-11(6)8(3)9(4)12;;;/h11H,6H2,1-5H3;;;/q-1;;;/b9-8-;;;.
What are the key properties of (Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron?
(Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron has a molecular weight of 352.80 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene;iron is sourced from PubChem (CID 59078962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).