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

C12H24O5 — CID 12597912

IUPAC2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCC1(C)COCCOCCOCCOCCO1
InChIInChI=1S/C12H24O5/c1-12(2)11-16-8-7-14-4-3-13-5-6-15-9-10-17-12/h3-11H2,1-2H3
InChIKeyDFAFZVPNKONQTA-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.86
Rot. Bonds

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

2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 12597912) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID12597912
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCC1(C)COCCOCCOCCOCCO1
InChIInChI=1S/C12H24O5/c1-12(2)11-16-8-7-14-4-3-13-5-6-15-9-10-17-12/h3-11H2,1-2H3
InChIKeyDFAFZVPNKONQTA-UHFFFAOYSA-N
XLogP0.86
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane (CID 12597912) is 2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane is CC1(C)COCCOCCOCCOCCO1.
What is the InChIKey of 2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is DFAFZVPNKONQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-12(2)11-16-8-7-14-4-3-13-5-6-15-9-10-17-12/h3-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane?
2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 248.32 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 12597912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).