2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene

C12H22O3 — CID 87658454

IUPAC2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene
SMILESCC(C)=COCCOCCOC=C(C)C
InChIInChI=1S/C12H22O3/c1-11(2)9-14-7-5-13-6-8-15-10-12(3)4/h9-10H,5-8H2,1-4H3
InChIKeyGYNLZMSIVJEYPE-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.88
Rot. Bonds8

About 2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene

2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene (PubChem CID 87658454) has the molecular formula C12H22O3 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene.

Molecular Properties

Compound Name2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene
PubChem CID87658454
Molecular FormulaC12H22O3
Molecular Weight214.31 g/mol
Exact Mass214.16
IUPAC Name2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene
SMILESCC(C)=COCCOCCOC=C(C)C
InChIInChI=1S/C12H22O3/c1-11(2)9-14-7-5-13-6-8-15-10-12(3)4/h9-10H,5-8H2,1-4H3
InChIKeyGYNLZMSIVJEYPE-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene?
The IUPAC name of 2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene (CID 87658454) is 2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene.
What is the SMILES notation for 2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene?
The canonical SMILES for 2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene is CC(C)=COCCOCCOC=C(C)C.
What is the InChIKey of 2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene?
The InChIKey is GYNLZMSIVJEYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(2)9-14-7-5-13-6-8-15-10-12(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene?
2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene has a molecular weight of 214.31 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene is sourced from PubChem (CID 87658454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).