2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene

C9H16O2 — CID 10942706

IUPAC2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene
SMILESC=C(C)COCOCC(=C)C
InChIInChI=1S/C9H16O2/c1-8(2)5-10-7-11-6-9(3)4/h1,3,5-7H2,2,4H3
InChIKeyHBAWBBROXLJKCL-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.13
Rot. Bonds6

About 2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene

2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene (PubChem CID 10942706) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene.

Molecular Properties

Compound Name2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene
PubChem CID10942706
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene
SMILESC=C(C)COCOCC(=C)C
InChIInChI=1S/C9H16O2/c1-8(2)5-10-7-11-6-9(3)4/h1,3,5-7H2,2,4H3
InChIKeyHBAWBBROXLJKCL-UHFFFAOYSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-3-(2-methylprop-2-enoxymethoxy)prop-1-ene?
The IUPAC name of 2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene (CID 10942706) is 2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene.
What is the SMILES notation for 2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene?
The canonical SMILES for 2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene is C=C(C)COCOCC(=C)C.
What is the InChIKey of 2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene?
The InChIKey is HBAWBBROXLJKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)5-10-7-11-6-9(3)4/h1,3,5-7H2,2,4H3.
What are the key properties of 2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene?
2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene has a molecular weight of 156.22 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene is sourced from PubChem (CID 10942706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).