2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene

C14H26O2 — CID 123578236

IUPAC2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene
SMILESC=C(C)COCCCCOC(C)CC(=C)C
InChIInChI=1S/C14H26O2/c1-12(2)10-14(5)16-9-7-6-8-15-11-13(3)4/h14H,1,3,6-11H2,2,4-5H3
InChIKeySOAMKSCJAHGWRR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.73
Rot. Bonds10

About 2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene

2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene (PubChem CID 123578236) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene.

Molecular Properties

Compound Name2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene
PubChem CID123578236
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene
SMILESC=C(C)COCCCCOC(C)CC(=C)C
InChIInChI=1S/C14H26O2/c1-12(2)10-14(5)16-9-7-6-8-15-11-13(3)4/h14H,1,3,6-11H2,2,4-5H3
InChIKeySOAMKSCJAHGWRR-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.73
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-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene?
The IUPAC name of 2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene (CID 123578236) is 2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene.
What is the SMILES notation for 2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene?
The canonical SMILES for 2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene is C=C(C)COCCCCOC(C)CC(=C)C.
What is the InChIKey of 2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene?
The InChIKey is SOAMKSCJAHGWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-12(2)10-14(5)16-9-7-6-8-15-11-13(3)4/h14H,1,3,6-11H2,2,4-5H3.
What are the key properties of 2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene?
2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene has a molecular weight of 226.36 g/mol, XLogP of 3.73, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-methylprop-2-enoxy)butoxy]pent-1-ene is sourced from PubChem (CID 123578236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).