1,1-diethoxy-2-methylidenecyclopropane

C8H14O2 — CID 15402559

IUPAC1,1-diethoxy-2-methylidenecyclopropane
SMILESC=C1CC1(OCC)OCC
InChIInChI=1S/C8H14O2/c1-4-9-8(10-5-2)6-7(8)3/h3-6H2,1-2H3
InChIKeyMWLQEPYDHGIIAY-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds4

About 1,1-diethoxy-2-methylidenecyclopropane

1,1-diethoxy-2-methylidenecyclopropane (PubChem CID 15402559) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,1-diethoxy-2-methylidenecyclopropane.

Molecular Properties

Compound Name1,1-diethoxy-2-methylidenecyclopropane
PubChem CID15402559
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1,1-diethoxy-2-methylidenecyclopropane
SMILESC=C1CC1(OCC)OCC
InChIInChI=1S/C8H14O2/c1-4-9-8(10-5-2)6-7(8)3/h3-6H2,1-2H3
InChIKeyMWLQEPYDHGIIAY-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-2-methylidenecyclopropane?
The IUPAC name of 1,1-diethoxy-2-methylidenecyclopropane (CID 15402559) is 1,1-diethoxy-2-methylidenecyclopropane.
What is the SMILES notation for 1,1-diethoxy-2-methylidenecyclopropane?
The canonical SMILES for 1,1-diethoxy-2-methylidenecyclopropane is C=C1CC1(OCC)OCC.
What is the InChIKey of 1,1-diethoxy-2-methylidenecyclopropane?
The InChIKey is MWLQEPYDHGIIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-9-8(10-5-2)6-7(8)3/h3-6H2,1-2H3.
What are the key properties of 1,1-diethoxy-2-methylidenecyclopropane?
1,1-diethoxy-2-methylidenecyclopropane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-2-methylidenecyclopropane is sourced from PubChem (CID 15402559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).