3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane

C10H20O2 — CID 44602846

IUPAC3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane
SMILESC=C(C)COCCC(C)(C)OC
InChIInChI=1S/C10H20O2/c1-9(2)8-12-7-6-10(3,4)11-5/h1,6-8H2,2-5H3
InChIKeyALJBAFRRZFFLCO-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.39
Rot. Bonds6

About 3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane

3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane (PubChem CID 44602846) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane
PubChem CID44602846
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane
SMILESC=C(C)COCCC(C)(C)OC
InChIInChI=1S/C10H20O2/c1-9(2)8-12-7-6-10(3,4)11-5/h1,6-8H2,2-5H3
InChIKeyALJBAFRRZFFLCO-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.39
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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Related Compounds

1,1-Dimethylethyl 2-methyl-2-propenyl ether
CID 12962883
3-Butoxy-2-(butoxymethyl)-propene
CID 129659986
1,3-Diethoxy-2-methylenepropane
CID 546191
1-Methoxy-1,1-dimethyl-3-(3-methylbut-2-enyloxy)propane
CID 20504083
1-Methoxy-1,1-dimethyl-3-prop-2-enyloxypropane
CID 44602792
3-tert-Butoxy-2-(isopropoxymethyl)-1-propene
CID 545568
3-tert-Butoxy-2-(methoxymethyl)-1-propene
CID 545749
3-Propoxy-2-(propoxymethyl)prop-1-ene
CID 18988412
2-(Methoxymethyl)-3-propoxyprop-1-ene
CID 18988478
3-Propan-2-yloxy-2-(propan-2-yloxymethyl)prop-1-ene
CID 18988488
2-(Butoxymethyl)-3-methoxyprop-1-ene
CID 18988498
3-(2-Methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene
CID 18988599

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane?
The IUPAC name of 3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane (CID 44602846) is 3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane.
What is the SMILES notation for 3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane?
The canonical SMILES for 3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane is C=C(C)COCCC(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane?
The InChIKey is ALJBAFRRZFFLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)8-12-7-6-10(3,4)11-5/h1,6-8H2,2-5H3.
What are the key properties of 3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane?
3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane has a molecular weight of 172.27 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(2-methylprop-2-enoxy)butane is sourced from PubChem (CID 44602846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).