2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane

C15H28O2 — CID 167150900

IUPAC2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane
SMILESCC(C)(CC(C)(C)C1CCCO1)C1CCOC1
InChIInChI=1S/C15H28O2/c1-14(2,12-7-9-16-10-12)11-15(3,4)13-6-5-8-17-13/h12-13H,5-11H2,1-4H3
InChIKeyCFRJFJUUQOVSEV-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.64
Rot. Bonds4

About 2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane

2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane (PubChem CID 167150900) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane.

Molecular Properties

Compound Name2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane
PubChem CID167150900
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane
SMILESCC(C)(CC(C)(C)C1CCCO1)C1CCOC1
InChIInChI=1S/C15H28O2/c1-14(2,12-7-9-16-10-12)11-15(3,4)13-6-5-8-17-13/h12-13H,5-11H2,1-4H3
InChIKeyCFRJFJUUQOVSEV-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2'-(1-Methylethylidene)bis(tetrahydrofuran)
CID 551484
Furan, 2,2'-(1-methylethylidene)bis(tetrahydro-
CID 3086302
2-tert-Butyl-5-methyl-2-propyltetrahydrofuran
CID 11658402
2-t-Butyl-7-oxabicyclo[2,2,1]-heptane
CID 23594586
2-Methyl-5-[(5-methyloxolan-2-yl)-(oxolan-2-yl)methyl]oxolane
CID 135085110
2-Tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane
CID 59848424
(2R,3S,5S)-3-tert-butyl-2-(2,2-dimethylpropyl)-4-fluoro-5-methyloxolane
CID 161940418
(2S,3S,5R)-2,4-ditert-butyl-5-(2,2-dimethylpropyl)-3-fluorooxolane
CID 168820223
(2S,4S,5R)-2,4-ditert-butyl-5-(2,2-dimethylpropyl)-3-fluorooxolane
CID 168837696
1-(Fluoromethyl)-4,5-di(propan-2-yl)-2-oxabicyclo[2.1.1]hexane
CID 176610694
(2S,3R,5R)-2,4-ditert-butyl-5-(2,2-dimethylpropyl)-3-fluorooxolane
CID 177125367
3-(1-Methylcyclopentyl)oxolane
CID 23594569

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane?
The IUPAC name of 2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane (CID 167150900) is 2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane.
What is the SMILES notation for 2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane?
The canonical SMILES for 2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane is CC(C)(CC(C)(C)C1CCCO1)C1CCOC1.
What is the InChIKey of 2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane?
The InChIKey is CFRJFJUUQOVSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-14(2,12-7-9-16-10-12)11-15(3,4)13-6-5-8-17-13/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane?
2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane has a molecular weight of 240.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dimethyl-4-(oxolan-3-yl)pentan-2-yl]oxolane is sourced from PubChem (CID 167150900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).