3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane

C18H30O5 — CID 23505074

IUPAC3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane
SMILESCC1(C(OC(C2(C)COC2)C2(C)COC2)C2(C)COC2)COC1
InChIInChI=1S/C18H30O5/c1-15(5-19-6-15)13(16(2)7-20-8-16)23-14(17(3)9-21-10-17)18(4)11-22-12-18/h13-14H,5-12H2,1-4H3
InChIKeyGNSCMFFEZHUCNL-UHFFFAOYSA-N
MW326.43 g/mol
LogP1.89
Rot. Bonds6

About 3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane

3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane (PubChem CID 23505074) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is 3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane
PubChem CID23505074
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane
SMILESCC1(C(OC(C2(C)COC2)C2(C)COC2)C2(C)COC2)COC1
InChIInChI=1S/C18H30O5/c1-15(5-19-6-15)13(16(2)7-20-8-16)23-14(17(3)9-21-10-17)18(4)11-22-12-18/h13-14H,5-12H2,1-4H3
InChIKeyGNSCMFFEZHUCNL-UHFFFAOYSA-N
XLogP1.89
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane?
The IUPAC name of 3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane (CID 23505074) is 3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane.
What is the SMILES notation for 3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane?
The canonical SMILES for 3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane is CC1(C(OC(C2(C)COC2)C2(C)COC2)C2(C)COC2)COC1.
What is the InChIKey of 3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane?
The InChIKey is GNSCMFFEZHUCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O5/c1-15(5-19-6-15)13(16(2)7-20-8-16)23-14(17(3)9-21-10-17)18(4)11-22-12-18/h13-14H,5-12H2,1-4H3.
What are the key properties of 3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane?
3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane has a molecular weight of 326.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-methyloxetan-3-yl)methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane is sourced from PubChem (CID 23505074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).