1-(3-methylpentan-3-yloxy)ethylcyclopropane

C11H22O — CID 91010991

IUPAC1-(3-methylpentan-3-yloxy)ethylcyclopropane
SMILESCCC(C)(CC)OC(C)C1CC1
InChIInChI=1S/C11H22O/c1-5-11(4,6-2)12-9(3)10-7-8-10/h9-10H,5-8H2,1-4H3
InChIKeyORVGKQZKGIMLDS-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds5

About 1-(3-methylpentan-3-yloxy)ethylcyclopropane

1-(3-methylpentan-3-yloxy)ethylcyclopropane (PubChem CID 91010991) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(3-methylpentan-3-yloxy)ethylcyclopropane.

Molecular Properties

Compound Name1-(3-methylpentan-3-yloxy)ethylcyclopropane
PubChem CID91010991
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-(3-methylpentan-3-yloxy)ethylcyclopropane
SMILESCCC(C)(CC)OC(C)C1CC1
InChIInChI=1S/C11H22O/c1-5-11(4,6-2)12-9(3)10-7-8-10/h9-10H,5-8H2,1-4H3
InChIKeyORVGKQZKGIMLDS-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-3-yloxy)ethylcyclopropane?
The IUPAC name of 1-(3-methylpentan-3-yloxy)ethylcyclopropane (CID 91010991) is 1-(3-methylpentan-3-yloxy)ethylcyclopropane.
What is the SMILES notation for 1-(3-methylpentan-3-yloxy)ethylcyclopropane?
The canonical SMILES for 1-(3-methylpentan-3-yloxy)ethylcyclopropane is CCC(C)(CC)OC(C)C1CC1.
What is the InChIKey of 1-(3-methylpentan-3-yloxy)ethylcyclopropane?
The InChIKey is ORVGKQZKGIMLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-11(4,6-2)12-9(3)10-7-8-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(3-methylpentan-3-yloxy)ethylcyclopropane?
1-(3-methylpentan-3-yloxy)ethylcyclopropane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-3-yloxy)ethylcyclopropane is sourced from PubChem (CID 91010991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).