2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene

C11H20O2 — CID 87658455

IUPAC2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene
SMILESCC(C)=COCCCOC=C(C)C
InChIInChI=1S/C11H20O2/c1-10(2)8-12-6-5-7-13-9-11(3)4/h8-9H,5-7H2,1-4H3
InChIKeyQKRFFOIHDNTLHW-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.26
Rot. Bonds6

About 2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene

2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene (PubChem CID 87658455) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene.

Molecular Properties

Compound Name2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene
PubChem CID87658455
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene
SMILESCC(C)=COCCCOC=C(C)C
InChIInChI=1S/C11H20O2/c1-10(2)8-12-6-5-7-13-9-11(3)4/h8-9H,5-7H2,1-4H3
InChIKeyQKRFFOIHDNTLHW-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene?
The IUPAC name of 2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene (CID 87658455) is 2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene.
What is the SMILES notation for 2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene?
The canonical SMILES for 2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene is CC(C)=COCCCOC=C(C)C.
What is the InChIKey of 2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene?
The InChIKey is QKRFFOIHDNTLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)8-12-6-5-7-13-9-11(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene?
2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene has a molecular weight of 184.28 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2-methylprop-1-enoxy)propoxy]prop-1-ene is sourced from PubChem (CID 87658455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).