1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane

C11H20O — CID 67125627

IUPAC1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane
SMILESCOCCC1(CC=C(C)C)CC1
InChIInChI=1S/C11H20O/c1-10(2)4-5-11(6-7-11)8-9-12-3/h4H,5-9H2,1-3H3
InChIKeyYHLCOKGCSDGLGW-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds5

About 1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane

1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane (PubChem CID 67125627) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane
PubChem CID67125627
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane
SMILESCOCCC1(CC=C(C)C)CC1
InChIInChI=1S/C11H20O/c1-10(2)4-5-11(6-7-11)8-9-12-3/h4H,5-9H2,1-3H3
InChIKeyYHLCOKGCSDGLGW-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane?
The IUPAC name of 1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane (CID 67125627) is 1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane.
What is the SMILES notation for 1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane?
The canonical SMILES for 1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane is COCCC1(CC=C(C)C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane?
The InChIKey is YHLCOKGCSDGLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)4-5-11(6-7-11)8-9-12-3/h4H,5-9H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane?
1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane is sourced from PubChem (CID 67125627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).