3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane

C21H38O6 — CID 130405206

IUPAC3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane
SMILESCCC1(COCC(COCC2(CC)COC2)OCC2(CC)COC2)COC1
InChIInChI=1S/C21H38O6/c1-4-19(11-24-12-19)9-22-7-18(27-17-21(6-3)15-26-16-21)8-23-10-20(5-2)13-25-14-20/h18H,4-17H2,1-3H3
InChIKeyHEANONVYOGTTAI-UHFFFAOYSA-N
MW386.53 g/mol
LogP2.68
Rot. Bonds14

About 3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane

3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane (PubChem CID 130405206) has the molecular formula C21H38O6 and a molecular weight of 386.53 g/mol. Its IUPAC name is 3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane
PubChem CID130405206
Molecular FormulaC21H38O6
Molecular Weight386.53 g/mol
Exact Mass386.27
IUPAC Name3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane
SMILESCCC1(COCC(COCC2(CC)COC2)OCC2(CC)COC2)COC1
InChIInChI=1S/C21H38O6/c1-4-19(11-24-12-19)9-22-7-18(27-17-21(6-3)15-26-16-21)8-23-10-20(5-2)13-25-14-20/h18H,4-17H2,1-3H3
InChIKeyHEANONVYOGTTAI-UHFFFAOYSA-N
XLogP2.68
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 11253923
CID 11253923
CID 11825221
CID 11825221
CID 14814455
CID 14814455
CID 21133030
CID 21133030
CID 22340176
CID 22340176
CID 22340181
CID 22340181
CID 57141474
CID 57141474
CID 57186025
CID 57186025
CID 57319993
CID 57319993
CID 57493389
CID 57493389
CID 57826959
CID 57826959
CID 58350245
CID 58350245

Frequently Asked Questions

What is the IUPAC name of 3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane?
The IUPAC name of 3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane (CID 130405206) is 3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane.
What is the SMILES notation for 3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane?
The canonical SMILES for 3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane is CCC1(COCC(COCC2(CC)COC2)OCC2(CC)COC2)COC1.
What is the InChIKey of 3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane?
The InChIKey is HEANONVYOGTTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O6/c1-4-19(11-24-12-19)9-22-7-18(27-17-21(6-3)15-26-16-21)8-23-10-20(5-2)13-25-14-20/h18H,4-17H2,1-3H3.
What are the key properties of 3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane?
3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane has a molecular weight of 386.53 g/mol, XLogP of 2.68, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3-bis[(3-ethyloxetan-3-yl)methoxy]propan-2-yloxymethyl]-3-ethyloxetane is sourced from PubChem (CID 130405206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).