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

C10H18O3 — CID 54549568

IUPAC3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane
SMILESCOC(C1(C)COC1)C1(C)COC1
InChIInChI=1S/C10H18O3/c1-9(4-12-5-9)8(11-3)10(2)6-13-7-10/h8H,4-7H2,1-3H3
InChIKeyZIYJNVQKNQWWLQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.07
Rot. Bonds3

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

3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane (PubChem CID 54549568) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane
PubChem CID54549568
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane
SMILESCOC(C1(C)COC1)C1(C)COC1
InChIInChI=1S/C10H18O3/c1-9(4-12-5-9)8(11-3)10(2)6-13-7-10/h8H,4-7H2,1-3H3
InChIKeyZIYJNVQKNQWWLQ-UHFFFAOYSA-N
XLogP1.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane?
The IUPAC name of 3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane (CID 54549568) is 3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane.
What is the SMILES notation for 3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane?
The canonical SMILES for 3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane is COC(C1(C)COC1)C1(C)COC1.
What is the InChIKey of 3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane?
The InChIKey is ZIYJNVQKNQWWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(4-12-5-9)8(11-3)10(2)6-13-7-10/h8H,4-7H2,1-3H3.
What are the key properties of 3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane?
3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane has a molecular weight of 186.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy-(3-methyloxetan-3-yl)methyl]-3-methyloxetane is sourced from PubChem (CID 54549568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).