2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane

C23H42O3 — CID 134256683

IUPAC2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane
SMILESCC(C)(C1CCOCC1)C(C)(C1CCCCO1)C(C)(C)C1CCCOC1
InChIInChI=1S/C23H42O3/c1-21(2,18-11-15-24-16-12-18)23(5,20-10-6-7-14-26-20)22(3,4)19-9-8-13-25-17-19/h18-20H,6-17H2,1-5H3
InChIKeyGYBHEIKSMTUKAY-UHFFFAOYSA-N
MW366.59 g/mol
LogP5.47
Rot. Bonds5

About 2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane

2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane (PubChem CID 134256683) has the molecular formula C23H42O3 and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane.

Molecular Properties

Compound Name2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane
PubChem CID134256683
Molecular FormulaC23H42O3
Molecular Weight366.59 g/mol
Exact Mass366.31
IUPAC Name2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane
SMILESCC(C)(C1CCOCC1)C(C)(C1CCCCO1)C(C)(C)C1CCCOC1
InChIInChI=1S/C23H42O3/c1-21(2,18-11-15-24-16-12-18)23(5,20-10-6-7-14-26-20)22(3,4)19-9-8-13-25-17-19/h18-20H,6-17H2,1-5H3
InChIKeyGYBHEIKSMTUKAY-UHFFFAOYSA-N
XLogP5.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane
CID 157181947
3-tert-butylazetidine;bis(tert-butylcyclobutane);tert-butylcyclopentane;3-tert-butyloxetane;2-tert-butyloxolane;3-tert-butyloxolane;3-tert-butylpyrrolidine
CID 167606183
tert-butylcyclohexane;bis(2-tert-butyloxane);bis(3-tert-butyloxane);4-tert-butyloxane;2-tert-butylpiperazine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine
CID 158338230
(2S)-2-tert-butyloxane
CID 118633229
tert-butylcyclopentane;2-tert-butyloxolane;methylcyclohexane;2-methyloxane;4-methyloxane
CID 167645227
2-(oxan-3-yl)propan-2-amine
CID 82417868
2-(oxepan-4-yl)propan-2-amine
CID 84650641
tert-butylcyclohexane;3-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;2-(2,2-dimethylpropyl)-1,4-dioxane;methane
CID 158307014
3-(1-chloro-2-methylpropan-2-yl)oxane
CID 165474775
1-cyclohexyl-1-(oxan-4-yl)ethanol
CID 114794901
3-tert-butyl-2-methylidene-1,3-oxazolidine;(2S)-2-tert-butyloxetane;(2S)-2-tert-butyloxolane;(3S)-3-tert-butyloxolane
CID 160804436
2-(oxolan-3-yl)propane-2-thiol
CID 126657698

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane?
The IUPAC name of 2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane (CID 134256683) is 2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane.
What is the SMILES notation for 2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane?
The canonical SMILES for 2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane is CC(C)(C1CCOCC1)C(C)(C1CCCCO1)C(C)(C)C1CCCOC1.
What is the InChIKey of 2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane?
The InChIKey is GYBHEIKSMTUKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O3/c1-21(2,18-11-15-24-16-12-18)23(5,20-10-6-7-14-26-20)22(3,4)19-9-8-13-25-17-19/h18-20H,6-17H2,1-5H3.
What are the key properties of 2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane?
2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane has a molecular weight of 366.59 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane is sourced from PubChem (CID 134256683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).