2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane

C14H28O2 — CID 142998866

IUPAC2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane
SMILESCCC(C)CO/C(C)=C(/C)OCC(C)CC
InChIInChI=1S/C14H28O2/c1-7-11(3)9-15-13(5)14(6)16-10-12(4)8-2/h11-12H,7-10H2,1-6H3/b14-13-
InChIKeyBDRNZZWJACILGB-YPKPFQOOSA-N
MW228.38 g/mol
LogP4.36
Rot. Bonds8

About 2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane

2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane (PubChem CID 142998866) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane.

Molecular Properties

Compound Name2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane
PubChem CID142998866
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane
SMILESCCC(C)CO/C(C)=C(/C)OCC(C)CC
InChIInChI=1S/C14H28O2/c1-7-11(3)9-15-13(5)14(6)16-10-12(4)8-2/h11-12H,7-10H2,1-6H3/b14-13-
InChIKeyBDRNZZWJACILGB-YPKPFQOOSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane?
The IUPAC name of 2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane (CID 142998866) is 2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane.
What is the SMILES notation for 2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane?
The canonical SMILES for 2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane is CCC(C)CO/C(C)=C(/C)OCC(C)CC.
What is the InChIKey of 2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane?
The InChIKey is BDRNZZWJACILGB-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H28O2/c1-7-11(3)9-15-13(5)14(6)16-10-12(4)8-2/h11-12H,7-10H2,1-6H3/b14-13-.
What are the key properties of 2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane?
2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane has a molecular weight of 228.38 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(Z)-3-(2-methylbutoxy)but-2-en-2-yl]oxybutane is sourced from PubChem (CID 142998866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).