2-(2,2-dimethylbutyl)-oxacyclononadecane

C24H48O — CID 173129574

IUPAC2-(2,2-dimethylbutyl)-oxacyclononadecane
SMILESCCC(C)(C)CC1CCCCCCCCCCCCCCCCCO1
InChIInChI=1S/C24H48O/c1-4-24(2,3)22-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-25-23/h23H,4-22H2,1-3H3
InChIKeyGEZYHYJUPPEWCA-UHFFFAOYSA-N
MW352.65 g/mol
LogP8.45
Rot. Bonds3

About 2-(2,2-dimethylbutyl)-oxacyclononadecane

2-(2,2-dimethylbutyl)-oxacyclononadecane (PubChem CID 173129574) has the molecular formula C24H48O and a molecular weight of 352.65 g/mol. Its IUPAC name is 2-(2,2-dimethylbutyl)-oxacyclononadecane.

Molecular Properties

Compound Name2-(2,2-dimethylbutyl)-oxacyclononadecane
PubChem CID173129574
Molecular FormulaC24H48O
Molecular Weight352.65 g/mol
Exact Mass352.37
IUPAC Name2-(2,2-dimethylbutyl)-oxacyclononadecane
SMILESCCC(C)(C)CC1CCCCCCCCCCCCCCCCCO1
InChIInChI=1S/C24H48O/c1-4-24(2,3)22-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-25-23/h23H,4-22H2,1-3H3
InChIKeyGEZYHYJUPPEWCA-UHFFFAOYSA-N
XLogP8.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2,2-dimethylpropyl)oxolane
CID 66059944
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine;hydrochloride
CID 122240151
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
2,2-dimethyl-3-(oxan-2-yl)propanenitrile
CID 122240166
2-(2,2-dimethylpropyl)oxolane;ethane
CID 155737583
1-(oxolan-2-yl)butane-2,2-diol
CID 141149277
2-[2-(bromomethyl)-2-methylbutyl]oxolane
CID 66050711
2-methyl-N-(oxan-2-ylmethyl)butan-2-amine
CID 43421983
(2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane
CID 130439180
cyclopentane;2,2-dimethylbutylcyclopentane;propane
CID 162289353

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutyl)-oxacyclononadecane?
The IUPAC name of 2-(2,2-dimethylbutyl)-oxacyclononadecane (CID 173129574) is 2-(2,2-dimethylbutyl)-oxacyclononadecane.
What is the SMILES notation for 2-(2,2-dimethylbutyl)-oxacyclononadecane?
The canonical SMILES for 2-(2,2-dimethylbutyl)-oxacyclononadecane is CCC(C)(C)CC1CCCCCCCCCCCCCCCCCO1.
What is the InChIKey of 2-(2,2-dimethylbutyl)-oxacyclononadecane?
The InChIKey is GEZYHYJUPPEWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O/c1-4-24(2,3)22-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-25-23/h23H,4-22H2,1-3H3.
What are the key properties of 2-(2,2-dimethylbutyl)-oxacyclononadecane?
2-(2,2-dimethylbutyl)-oxacyclononadecane has a molecular weight of 352.65 g/mol, XLogP of 8.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutyl)-oxacyclononadecane is sourced from PubChem (CID 173129574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).