3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane

C24H44O6 — CID 22340181

IUPAC3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane
SMILESCCC1(COCC(CC)(COCC2(CC)COC2)COCC2(CC)COC2)COC1
InChIInChI=1S/C24H44O6/c1-5-21(9-25-10-21)15-28-18-24(8-4,19-29-16-22(6-2)11-26-12-22)20-30-17-23(7-3)13-27-14-23/h5-20H2,1-4H3
InChIKeyJRUQLFAHOFSFLP-UHFFFAOYSA-N
MW428.61 g/mol
LogP3.71
Rot. Bonds16

About 3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane

3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane (PubChem CID 22340181) has the molecular formula C24H44O6 and a molecular weight of 428.61 g/mol. Its IUPAC name is 3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane
PubChem CID22340181
Molecular FormulaC24H44O6
Molecular Weight428.61 g/mol
Exact Mass428.31
IUPAC Name3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane
SMILESCCC1(COCC(CC)(COCC2(CC)COC2)COCC2(CC)COC2)COC1
InChIInChI=1S/C24H44O6/c1-5-21(9-25-10-21)15-28-18-24(8-4,19-29-16-22(6-2)11-26-12-22)20-30-17-23(7-3)13-27-14-23/h5-20H2,1-4H3
InChIKeyJRUQLFAHOFSFLP-UHFFFAOYSA-N
XLogP3.71
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane?
The IUPAC name of 3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane (CID 22340181) is 3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane.
What is the SMILES notation for 3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane?
The canonical SMILES for 3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane is CCC1(COCC(CC)(COCC2(CC)COC2)COCC2(CC)COC2)COC1.
What is the InChIKey of 3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane?
The InChIKey is JRUQLFAHOFSFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O6/c1-5-21(9-25-10-21)15-28-18-24(8-4,19-29-16-22(6-2)11-26-12-22)20-30-17-23(7-3)13-27-14-23/h5-20H2,1-4H3.
What are the key properties of 3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane?
3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane has a molecular weight of 428.61 g/mol, XLogP of 3.71, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-bis[(3-ethyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-ethyloxetane is sourced from PubChem (CID 22340181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).