2-methyl-1,4,7,10,13-pentaoxacyclopentadecane

C11H22O5 — CID 6455778

IUPAC2-methyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCC1COCCOCCOCCOCCO1
InChIInChI=1S/C11H22O5/c1-11-10-15-7-6-13-3-2-12-4-5-14-8-9-16-11/h11H,2-10H2,1H3
InChIKeySAKBPRPEERBQLX-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.47
Rot. Bonds

About 2-methyl-1,4,7,10,13-pentaoxacyclopentadecane

2-methyl-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 6455778) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-methyl-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-methyl-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID6455778
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2-methyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCC1COCCOCCOCCOCCO1
InChIInChI=1S/C11H22O5/c1-11-10-15-7-6-13-3-2-12-4-5-14-8-9-16-11/h11H,2-10H2,1H3
InChIKeySAKBPRPEERBQLX-UHFFFAOYSA-N
XLogP0.47
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2-methyl-1,4,7,10,13-pentaoxacyclopentadecane (CID 6455778) is 2-methyl-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-methyl-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-methyl-1,4,7,10,13-pentaoxacyclopentadecane is CC1COCCOCCOCCOCCO1.
What is the InChIKey of 2-methyl-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is SAKBPRPEERBQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-11-10-15-7-6-13-3-2-12-4-5-14-8-9-16-11/h11H,2-10H2,1H3.
What are the key properties of 2-methyl-1,4,7,10,13-pentaoxacyclopentadecane?
2-methyl-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 234.29 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 6455778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).