1-ethoxy-2-propan-2-ylidenecyclopropane

C8H14O — CID 13182550

IUPAC1-ethoxy-2-propan-2-ylidenecyclopropane
SMILESCCOC1CC1=C(C)C
InChIInChI=1S/C8H14O/c1-4-9-8-5-7(8)6(2)3/h8H,4-5H2,1-3H3
InChIKeyKGUQLFXIAZYEGQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds2

About 1-ethoxy-2-propan-2-ylidenecyclopropane

1-ethoxy-2-propan-2-ylidenecyclopropane (PubChem CID 13182550) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-ethoxy-2-propan-2-ylidenecyclopropane.

Molecular Properties

Compound Name1-ethoxy-2-propan-2-ylidenecyclopropane
PubChem CID13182550
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-ethoxy-2-propan-2-ylidenecyclopropane
SMILESCCOC1CC1=C(C)C
InChIInChI=1S/C8H14O/c1-4-9-8-5-7(8)6(2)3/h8H,4-5H2,1-3H3
InChIKeyKGUQLFXIAZYEGQ-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
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-ethoxy-2-propan-2-ylidenecyclopropane?
The IUPAC name of 1-ethoxy-2-propan-2-ylidenecyclopropane (CID 13182550) is 1-ethoxy-2-propan-2-ylidenecyclopropane.
What is the SMILES notation for 1-ethoxy-2-propan-2-ylidenecyclopropane?
The canonical SMILES for 1-ethoxy-2-propan-2-ylidenecyclopropane is CCOC1CC1=C(C)C.
What is the InChIKey of 1-ethoxy-2-propan-2-ylidenecyclopropane?
The InChIKey is KGUQLFXIAZYEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-9-8-5-7(8)6(2)3/h8H,4-5H2,1-3H3.
What are the key properties of 1-ethoxy-2-propan-2-ylidenecyclopropane?
1-ethoxy-2-propan-2-ylidenecyclopropane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-propan-2-ylidenecyclopropane is sourced from PubChem (CID 13182550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).