2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene

C13H18O2 — CID 141069548

IUPAC2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCCCc1cc2ooc2c(CC)c1CC
InChIInChI=1S/C13H18O2/c1-4-7-9-8-12-13(15-14-12)11(6-3)10(9)5-2/h8H,4-7H2,1-3H3
InChIKeyWWMBQNSUVGPZKZ-UHFFFAOYSA-N
MW206.28 g/mol
LogP4.10
Rot. Bonds4

About 2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene

2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 141069548) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID141069548
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCCCc1cc2ooc2c(CC)c1CC
InChIInChI=1S/C13H18O2/c1-4-7-9-8-12-13(15-14-12)11(6-3)10(9)5-2/h8H,4-7H2,1-3H3
InChIKeyWWMBQNSUVGPZKZ-UHFFFAOYSA-N
XLogP4.10
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

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Launch Full Analysis

Related Compounds

4-ethyl-3-methyl-5-propylphenol
CID 174651080
1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene
CID 101311555
2-ethyl-3-methyl-4,5-dipropylphenol
CID 139832159
(2,3,4-triethyl-5-propylphenyl) hydrogen carbonate
CID 87299833
2-ethyl-3-methyl-1,4-dipropylbenzene
CID 155697581
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane
CID 11144009
3-ethyl-4-methyl-5-propylbenzene-1,2-diolate;nickel(2+)
CID 157209919
3-butyl-6-ethyl-4-propylbenzene-1,2-diol
CID 87876350
2-(4-ethyl-3,5-dipropylphenyl)-3,5,5-trimethylmorpholin-2-ol
CID 118072888
tetrakis(1,2,3,4-tetraethyl-5-methanidylbenzene);titanium(4+)
CID 173443489
2-bromo-5-fluoro-1,3-dipropylbenzene
CID 137443449
4-ethyl-2,6-dipropylphenol
CID 66879596

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene (CID 141069548) is 2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene is CCCc1cc2ooc2c(CC)c1CC.
What is the InChIKey of 2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is WWMBQNSUVGPZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-7-9-8-12-13(15-14-12)11(6-3)10(9)5-2/h8H,4-7H2,1-3H3.
What are the key properties of 2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene?
2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 206.28 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 141069548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).