1-(2,2-diethoxyethoxy)but-3-enylcyclopropane

C13H24O3 — CID 86721304

IUPAC1-(2,2-diethoxyethoxy)but-3-enylcyclopropane
SMILESC=CCC(OCC(OCC)OCC)C1CC1
InChIInChI=1S/C13H24O3/c1-4-7-12(11-8-9-11)16-10-13(14-5-2)15-6-3/h4,11-13H,1,5-10H2,2-3H3
InChIKeyRATNZNZCEZATHC-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.76
Rot. Bonds10

About 1-(2,2-diethoxyethoxy)but-3-enylcyclopropane

1-(2,2-diethoxyethoxy)but-3-enylcyclopropane (PubChem CID 86721304) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-(2,2-diethoxyethoxy)but-3-enylcyclopropane.

Molecular Properties

Compound Name1-(2,2-diethoxyethoxy)but-3-enylcyclopropane
PubChem CID86721304
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name1-(2,2-diethoxyethoxy)but-3-enylcyclopropane
SMILESC=CCC(OCC(OCC)OCC)C1CC1
InChIInChI=1S/C13H24O3/c1-4-7-12(11-8-9-11)16-10-13(14-5-2)15-6-3/h4,11-13H,1,5-10H2,2-3H3
InChIKeyRATNZNZCEZATHC-UHFFFAOYSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

[(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane
CID 100966370
1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine
CID 116723819
2-cyclopropyl-2-ethoxyethanol
CID 126970888
1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane
CID 91361324
4-ethoxypent-1-ene
CID 12776575
2-cyclopropyl-2-ethoxy-N-methylethanamine
CID 130591131
1-cyclohexylbut-3-enyl acetate
CID 11481011
1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol
CID 81094787
12,12-diethoxydodec-1-ene
CID 146004846
1-cyclohexylbut-3-enoxy-dimethyl-prop-2-enylsilane
CID 11791697
1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol
CID 116712870
[1-ethoxy-2-(1-iodo-2-methylpropan-2-yl)oxyethyl]cyclopropane
CID 165494950

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethoxy)but-3-enylcyclopropane?
The IUPAC name of 1-(2,2-diethoxyethoxy)but-3-enylcyclopropane (CID 86721304) is 1-(2,2-diethoxyethoxy)but-3-enylcyclopropane.
What is the SMILES notation for 1-(2,2-diethoxyethoxy)but-3-enylcyclopropane?
The canonical SMILES for 1-(2,2-diethoxyethoxy)but-3-enylcyclopropane is C=CCC(OCC(OCC)OCC)C1CC1.
What is the InChIKey of 1-(2,2-diethoxyethoxy)but-3-enylcyclopropane?
The InChIKey is RATNZNZCEZATHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-7-12(11-8-9-11)16-10-13(14-5-2)15-6-3/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of 1-(2,2-diethoxyethoxy)but-3-enylcyclopropane?
1-(2,2-diethoxyethoxy)but-3-enylcyclopropane has a molecular weight of 228.33 g/mol, XLogP of 2.76, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethoxy)but-3-enylcyclopropane is sourced from PubChem (CID 86721304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).