2-ethoxybutan-2-yloxycyclopropane

C9H18O2 — CID 173201608

IUPAC2-ethoxybutan-2-yloxycyclopropane
SMILESCCOC(C)(CC)OC1CC1
InChIInChI=1S/C9H18O2/c1-4-9(3,10-5-2)11-8-6-7-8/h8H,4-7H2,1-3H3
InChIKeyOMGURNZGDZUCQZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.33
Rot. Bonds5

About 2-ethoxybutan-2-yloxycyclopropane

2-ethoxybutan-2-yloxycyclopropane (PubChem CID 173201608) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-ethoxybutan-2-yloxycyclopropane.

Molecular Properties

Compound Name2-ethoxybutan-2-yloxycyclopropane
PubChem CID173201608
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-ethoxybutan-2-yloxycyclopropane
SMILESCCOC(C)(CC)OC1CC1
InChIInChI=1S/C9H18O2/c1-4-9(3,10-5-2)11-8-6-7-8/h8H,4-7H2,1-3H3
InChIKeyOMGURNZGDZUCQZ-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxybutan-2-yloxycyclopropane?
The IUPAC name of 2-ethoxybutan-2-yloxycyclopropane (CID 173201608) is 2-ethoxybutan-2-yloxycyclopropane.
What is the SMILES notation for 2-ethoxybutan-2-yloxycyclopropane?
The canonical SMILES for 2-ethoxybutan-2-yloxycyclopropane is CCOC(C)(CC)OC1CC1.
What is the InChIKey of 2-ethoxybutan-2-yloxycyclopropane?
The InChIKey is OMGURNZGDZUCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-9(3,10-5-2)11-8-6-7-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-ethoxybutan-2-yloxycyclopropane?
2-ethoxybutan-2-yloxycyclopropane has a molecular weight of 158.24 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybutan-2-yloxycyclopropane is sourced from PubChem (CID 173201608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).