12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane

C13H26O5 — CID 118319524

IUPAC12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane
SMILESCOCC1CCCOCCOCCOCCOC1
InChIInChI=1S/C13H26O5/c1-14-11-13-3-2-4-15-5-6-16-7-8-17-9-10-18-12-13/h13H,2-12H2,1H3
InChIKeyBOFAOTUFUGPFKI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.11
Rot. Bonds2

About 12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane

12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane (PubChem CID 118319524) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane.

Molecular Properties

Compound Name12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane
PubChem CID118319524
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane
SMILESCOCC1CCCOCCOCCOCCOC1
InChIInChI=1S/C13H26O5/c1-14-11-13-3-2-4-15-5-6-16-7-8-17-9-10-18-12-13/h13H,2-12H2,1H3
InChIKeyBOFAOTUFUGPFKI-UHFFFAOYSA-N
XLogP1.11
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane?
The IUPAC name of 12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane (CID 118319524) is 12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane.
What is the SMILES notation for 12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane?
The canonical SMILES for 12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane is COCC1CCCOCCOCCOCCOC1.
What is the InChIKey of 12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane?
The InChIKey is BOFAOTUFUGPFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-14-11-13-3-2-4-15-5-6-16-7-8-17-9-10-18-12-13/h13H,2-12H2,1H3.
What are the key properties of 12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane?
12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane has a molecular weight of 262.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane is sourced from PubChem (CID 118319524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).