2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane

C15H30O5 — CID 58195815

IUPAC2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCC(C)(C)CC1COCCOCCOCCOCCO1
InChIInChI=1S/C15H30O5/c1-15(2,3)12-14-13-19-9-8-17-5-4-16-6-7-18-10-11-20-14/h14H,4-13H2,1-3H3
InChIKeyYSKMNPIXPBSDBP-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.89
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane

2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 58195815) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID58195815
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCC(C)(C)CC1COCCOCCOCCOCCO1
InChIInChI=1S/C15H30O5/c1-15(2,3)12-14-13-19-9-8-17-5-4-16-6-7-18-10-11-20-14/h14H,4-13H2,1-3H3
InChIKeyYSKMNPIXPBSDBP-UHFFFAOYSA-N
XLogP1.89
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane (CID 58195815) is 2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane is CC(C)(C)CC1COCCOCCOCCOCCO1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is YSKMNPIXPBSDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5/c1-15(2,3)12-14-13-19-9-8-17-5-4-16-6-7-18-10-11-20-14/h14H,4-13H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane?
2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 290.40 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 58195815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).