3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane

C14H26O4 — CID 14434632

IUPAC3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane
SMILESCC1(COCCCCOCC2(C)COC2)COC1
InChIInChI=1S/C14H26O4/c1-13(9-17-10-13)7-15-5-3-4-6-16-8-14(2)11-18-12-14/h3-12H2,1-2H3
InChIKeyKJHMODNULYGLND-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.87
Rot. Bonds9

About 3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane

3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane (PubChem CID 14434632) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane.

Molecular Properties

Compound Name3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane
PubChem CID14434632
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane
SMILESCC1(COCCCCOCC2(C)COC2)COC1
InChIInChI=1S/C14H26O4/c1-13(9-17-10-13)7-15-5-3-4-6-16-8-14(2)11-18-12-14/h3-12H2,1-2H3
InChIKeyKJHMODNULYGLND-UHFFFAOYSA-N
XLogP1.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane?
The IUPAC name of 3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane (CID 14434632) is 3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane.
What is the SMILES notation for 3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane?
The canonical SMILES for 3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane is CC1(COCCCCOCC2(C)COC2)COC1.
What is the InChIKey of 3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane?
The InChIKey is KJHMODNULYGLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-13(9-17-10-13)7-15-5-3-4-6-16-8-14(2)11-18-12-14/h3-12H2,1-2H3.
What are the key properties of 3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane?
3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane has a molecular weight of 258.36 g/mol, XLogP of 1.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxymethyl]oxetane is sourced from PubChem (CID 14434632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).