3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane

C19H36O2 — CID 167076671

IUPAC3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane
SMILESCC(C)(C)CC1CCC(CC(C)(C)CC2CCCOC2)O1
InChIInChI=1S/C19H36O2/c1-18(2,3)12-16-8-9-17(21-16)13-19(4,5)11-15-7-6-10-20-14-15/h15-17H,6-14H2,1-5H3
InChIKeyQGZMKMLSRXUGER-UHFFFAOYSA-N
MW296.49 g/mol
LogP5.20
Rot. Bonds5

About 3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane

3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane (PubChem CID 167076671) has the molecular formula C19H36O2 and a molecular weight of 296.49 g/mol. Its IUPAC name is 3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane.

Molecular Properties

Compound Name3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane
PubChem CID167076671
Molecular FormulaC19H36O2
Molecular Weight296.49 g/mol
Exact Mass296.27
IUPAC Name3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane
SMILESCC(C)(C)CC1CCC(CC(C)(C)CC2CCCOC2)O1
InChIInChI=1S/C19H36O2/c1-18(2,3)12-16-8-9-17(21-16)13-19(4,5)11-15-7-6-10-20-14-15/h15-17H,6-14H2,1-5H3
InChIKeyQGZMKMLSRXUGER-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2,2-dimethylpropyl)oxolane
CID 139100718
(5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane
CID 167295439
(2R)-2-[3-[3-(2,2-dimethylpropyl)cyclopentyl]-2,2-dimethylpropyl]oxolane
CID 130439180
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane
CID 162060129
N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine
CID 63707990
2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
CID 167591215
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
2,2-difluoro-3-(oxan-3-yl)propan-1-ol
CID 105438580
N-ethyl-2-(oxan-3-yl)ethanamine
CID 64866831
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane?
The IUPAC name of 3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane (CID 167076671) is 3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane.
What is the SMILES notation for 3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane?
The canonical SMILES for 3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane is CC(C)(C)CC1CCC(CC(C)(C)CC2CCCOC2)O1.
What is the InChIKey of 3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane?
The InChIKey is QGZMKMLSRXUGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-18(2,3)12-16-8-9-17(21-16)13-19(4,5)11-15-7-6-10-20-14-15/h15-17H,6-14H2,1-5H3.
What are the key properties of 3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane?
3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane has a molecular weight of 296.49 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(2,2-dimethylpropyl)oxolan-2-yl]-2,2-dimethylpropyl]oxane is sourced from PubChem (CID 167076671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).