3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane

C13H26O5 — CID 90772896

IUPAC3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane
SMILESCC1(C)COCCCOCCOCCOCCO1
InChIInChI=1S/C13H26O5/c1-13(2)12-17-5-3-4-14-6-7-15-8-9-16-10-11-18-13/h3-12H2,1-2H3
InChIKeyKCSRBSBYULRCBA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.25
Rot. Bonds

About 3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane

3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane (PubChem CID 90772896) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane.

Molecular Properties

Compound Name3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane
PubChem CID90772896
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane
SMILESCC1(C)COCCCOCCOCCOCCO1
InChIInChI=1S/C13H26O5/c1-13(2)12-17-5-3-4-14-6-7-15-8-9-16-10-11-18-13/h3-12H2,1-2H3
InChIKeyKCSRBSBYULRCBA-UHFFFAOYSA-N
XLogP1.25
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Ethylene glycol bis(2,3-epoxy-2-methylpropyl) ether
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2-[2-(2-Methoxyethoxy)ethoxy]-2-methylpropane
CID 104324
Butane, 1-(2-(2-(1,1-dimethylethoxy)ethoxy)ethoxy)-
CID 104323
Butane, 1-[2-(1,1-dimethylethoxy)ethoxy]-
CID 109580
2,2'-(Ethylenebis(oxy))bis(2-methylpropane)
CID 168554
3,6,9-Trimethyl-2,5,8,11-tetraoxadodecane
CID 15930777
Propane, 2,2'-[oxybis[(methyl-2,1-ethanediyl)oxy]]bis[2-methyl-
CID 21960672
Propylene glycol di-tert-butyl ether
CID 5362586
18-Methyl-2,5,8,11,14,17-hexaoxanonadecane
CID 6454511

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane?
The IUPAC name of 3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane (CID 90772896) is 3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane.
What is the SMILES notation for 3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane?
The canonical SMILES for 3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane is CC1(C)COCCCOCCOCCOCCO1.
What is the InChIKey of 3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane?
The InChIKey is KCSRBSBYULRCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-13(2)12-17-5-3-4-14-6-7-15-8-9-16-10-11-18-13/h3-12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane?
3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane has a molecular weight of 262.35 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,4,7,10,13-pentaoxacyclohexadecane is sourced from PubChem (CID 90772896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).