2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane

C14H28O2 — CID 130449548

IUPAC2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane
SMILESC=CCOCC(CC(C)CC)OC(C)CC
InChIInChI=1S/C14H28O2/c1-6-9-15-11-14(10-12(4)7-2)16-13(5)8-3/h6,12-14H,1,7-11H2,2-5H3
InChIKeyNVICTTDKVKIYLE-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.81
Rot. Bonds10

About 2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane

2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane (PubChem CID 130449548) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane.

Molecular Properties

Compound Name2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane
PubChem CID130449548
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane
SMILESC=CCOCC(CC(C)CC)OC(C)CC
InChIInChI=1S/C14H28O2/c1-6-9-15-11-14(10-12(4)7-2)16-13(5)8-3/h6,12-14H,1,7-11H2,2-5H3
InChIKeyNVICTTDKVKIYLE-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane?
The IUPAC name of 2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane (CID 130449548) is 2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane.
What is the SMILES notation for 2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane?
The canonical SMILES for 2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane is C=CCOCC(CC(C)CC)OC(C)CC.
What is the InChIKey of 2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane?
The InChIKey is NVICTTDKVKIYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-9-15-11-14(10-12(4)7-2)16-13(5)8-3/h6,12-14H,1,7-11H2,2-5H3.
What are the key properties of 2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane?
2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane has a molecular weight of 228.38 g/mol, XLogP of 3.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane is sourced from PubChem (CID 130449548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).