1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane

C11H20O — CID 54443228

IUPAC1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane
SMILESCOCC(C1(C)CC1)C1(C)CC1
InChIInChI=1S/C11H20O/c1-10(4-5-10)9(8-12-3)11(2)6-7-11/h9H,4-8H2,1-3H3
InChIKeyWINUXSUSJYVAJJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds4

About 1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane

1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane (PubChem CID 54443228) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane.

Molecular Properties

Compound Name1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane
PubChem CID54443228
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane
SMILESCOCC(C1(C)CC1)C1(C)CC1
InChIInChI=1S/C11H20O/c1-10(4-5-10)9(8-12-3)11(2)6-7-11/h9H,4-8H2,1-3H3
InChIKeyWINUXSUSJYVAJJ-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane?
The IUPAC name of 1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane (CID 54443228) is 1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane.
What is the SMILES notation for 1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane?
The canonical SMILES for 1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane is COCC(C1(C)CC1)C1(C)CC1.
What is the InChIKey of 1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane?
The InChIKey is WINUXSUSJYVAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(4-5-10)9(8-12-3)11(2)6-7-11/h9H,4-8H2,1-3H3.
What are the key properties of 1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane?
1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane has a molecular weight of 168.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-1-(1-methylcyclopropyl)ethyl]-1-methylcyclopropane is sourced from PubChem (CID 54443228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).