triethoxymethylcyclobutane

C11H22O3 — CID 64986091

IUPACtriethoxymethylcyclobutane
SMILESCCOC(OCC)(OCC)C1CCC1
InChIInChI=1S/C11H22O3/c1-4-12-11(13-5-2,14-6-3)10-8-7-9-10/h10H,4-9H2,1-3H3
InChIKeyLYKITWHQECABMH-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.55
Rot. Bonds7

About triethoxymethylcyclobutane

triethoxymethylcyclobutane (PubChem CID 64986091) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is triethoxymethylcyclobutane.

Molecular Properties

Compound Nametriethoxymethylcyclobutane
PubChem CID64986091
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nametriethoxymethylcyclobutane
SMILESCCOC(OCC)(OCC)C1CCC1
InChIInChI=1S/C11H22O3/c1-4-12-11(13-5-2,14-6-3)10-8-7-9-10/h10H,4-9H2,1-3H3
InChIKeyLYKITWHQECABMH-UHFFFAOYSA-N
XLogP2.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 triethoxymethylcyclobutane?
The IUPAC name of triethoxymethylcyclobutane (CID 64986091) is triethoxymethylcyclobutane.
What is the SMILES notation for triethoxymethylcyclobutane?
The canonical SMILES for triethoxymethylcyclobutane is CCOC(OCC)(OCC)C1CCC1.
What is the InChIKey of triethoxymethylcyclobutane?
The InChIKey is LYKITWHQECABMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-12-11(13-5-2,14-6-3)10-8-7-9-10/h10H,4-9H2,1-3H3.
What are the key properties of triethoxymethylcyclobutane?
triethoxymethylcyclobutane has a molecular weight of 202.29 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxymethylcyclobutane is sourced from PubChem (CID 64986091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).