3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane

C26H46O9 — CID 22056717

IUPAC3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane
SMILESCCC1(C(OC(C2(CC)COC2OC)C2(CC)COC2OC)C2(CC)COC2OC)COC1OC
InChIInChI=1S/C26H46O9/c1-9-23(13-31-19(23)27-5)17(24(10-2)14-32-20(24)28-6)35-18(25(11-3)15-33-21(25)29-7)26(12-4)16-34-22(26)30-8/h17-22H,9-16H2,1-8H3
InChIKeyQCVWYSZKVCYZLP-UHFFFAOYSA-N
MW502.65 g/mol
LogP3.34
Rot. Bonds14

About 3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane

3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane (PubChem CID 22056717) has the molecular formula C26H46O9 and a molecular weight of 502.65 g/mol. Its IUPAC name is 3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane.

Molecular Properties

Compound Name3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane
PubChem CID22056717
Molecular FormulaC26H46O9
Molecular Weight502.65 g/mol
Exact Mass502.31
IUPAC Name3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane
SMILESCCC1(C(OC(C2(CC)COC2OC)C2(CC)COC2OC)C2(CC)COC2OC)COC1OC
InChIInChI=1S/C26H46O9/c1-9-23(13-31-19(23)27-5)17(24(10-2)14-32-20(24)28-6)35-18(25(11-3)15-33-21(25)29-7)26(12-4)16-34-22(26)30-8/h17-22H,9-16H2,1-8H3
InChIKeyQCVWYSZKVCYZLP-UHFFFAOYSA-N
XLogP3.34
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.65
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane?
The IUPAC name of 3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane (CID 22056717) is 3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane.
What is the SMILES notation for 3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane?
The canonical SMILES for 3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane is CCC1(C(OC(C2(CC)COC2OC)C2(CC)COC2OC)C2(CC)COC2OC)COC1OC.
What is the InChIKey of 3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane?
The InChIKey is QCVWYSZKVCYZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O9/c1-9-23(13-31-19(23)27-5)17(24(10-2)14-32-20(24)28-6)35-18(25(11-3)15-33-21(25)29-7)26(12-4)16-34-22(26)30-8/h17-22H,9-16H2,1-8H3.
What are the key properties of 3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane?
3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane has a molecular weight of 502.65 g/mol, XLogP of 3.34, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-ethyl-2-methoxyoxetan-3-yl)methoxy-(3-ethyl-2-methoxyoxetan-3-yl)methyl]-3-ethyl-2-methoxyoxetane is sourced from PubChem (CID 22056717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).