1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane

C14H18O6 — CID 102032876

IUPAC1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane
SMILESCOC12C3(OC)C1(OC)C23C12C3(OC)C1(OC)C32OC
InChIInChI=1S/C14H18O6/c1-15-9-7(10(9,16-2)11(7,9)17-3)8-12(18-4)13(8,19-5)14(8,12)20-6/h1-6H3
InChIKeyHWCWGICPFGSUAX-UHFFFAOYSA-N
MW282.29 g/mol
LogP-0.65
Rot. Bonds7

About 1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane

1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane (PubChem CID 102032876) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane.

Molecular Properties

Compound Name1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane
PubChem CID102032876
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane
SMILESCOC12C3(OC)C1(OC)C23C12C3(OC)C1(OC)C32OC
InChIInChI=1S/C14H18O6/c1-15-9-7(10(9,16-2)11(7,9)17-3)8-12(18-4)13(8,19-5)14(8,12)20-6/h1-6H3
InChIKeyHWCWGICPFGSUAX-UHFFFAOYSA-N
XLogP-0.65
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane?
The IUPAC name of 1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane (CID 102032876) is 1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane.
What is the SMILES notation for 1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane?
The canonical SMILES for 1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane is COC12C3(OC)C1(OC)C23C12C3(OC)C1(OC)C32OC.
What is the InChIKey of 1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane?
The InChIKey is HWCWGICPFGSUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-15-9-7(10(9,16-2)11(7,9)17-3)8-12(18-4)13(8,19-5)14(8,12)20-6/h1-6H3.
What are the key properties of 1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane?
1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane has a molecular weight of 282.29 g/mol, XLogP of -0.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-4-(2,3,4-trimethoxy-1-tricyclo[1.1.0.02,4]butanyl)tricyclo[1.1.0.02,4]butane is sourced from PubChem (CID 102032876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).