3-[2-methyl-4-(oxan-4-yl)butyl]oxane

C15H28O2 — CID 173376707

IUPAC3-[2-methyl-4-(oxan-4-yl)butyl]oxane
SMILESCC(CCC1CCOCC1)CC1CCCOC1
InChIInChI=1S/C15H28O2/c1-13(11-15-3-2-8-17-12-15)4-5-14-6-9-16-10-7-14/h13-15H,2-12H2,1H3
InChIKeyAQNQZLHXVLOMPY-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.65
Rot. Bonds5

About 3-[2-methyl-4-(oxan-4-yl)butyl]oxane

3-[2-methyl-4-(oxan-4-yl)butyl]oxane (PubChem CID 173376707) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[2-methyl-4-(oxan-4-yl)butyl]oxane.

Molecular Properties

Compound Name3-[2-methyl-4-(oxan-4-yl)butyl]oxane
PubChem CID173376707
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3-[2-methyl-4-(oxan-4-yl)butyl]oxane
SMILESCC(CCC1CCOCC1)CC1CCCOC1
InChIInChI=1S/C15H28O2/c1-13(11-15-3-2-8-17-12-15)4-5-14-6-9-16-10-7-14/h13-15H,2-12H2,1H3
InChIKeyAQNQZLHXVLOMPY-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-3-yl)propan-2-amine
CID 63737520
3-(2-bromopropyl)oxane
CID 164664099
4-(4-chloro-3-methylbutyl)oxane
CID 64664613
(2R)-4-(oxan-4-yl)butan-2-ol
CID 94422374
(2S)-4-(oxan-4-yl)butan-2-ol
CID 94422373
3-(3-chloropentyl)oxane
CID 107137866
4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-2-amine
CID 103986756
[6-(oxan-4-yl)-1-(oxolan-3-yl)hexan-2-yl]hydrazine
CID 114193386
2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
CID 157070530
1-(oxolan-3-yl)butane-2,3-diamine
CID 126685843
5-methyl-1-(oxolan-3-yl)hexan-2-amine
CID 103986842
3-(3-bromo-4,4-dimethylpentyl)oxolane
CID 64509457

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(oxan-4-yl)butyl]oxane?
The IUPAC name of 3-[2-methyl-4-(oxan-4-yl)butyl]oxane (CID 173376707) is 3-[2-methyl-4-(oxan-4-yl)butyl]oxane.
What is the SMILES notation for 3-[2-methyl-4-(oxan-4-yl)butyl]oxane?
The canonical SMILES for 3-[2-methyl-4-(oxan-4-yl)butyl]oxane is CC(CCC1CCOCC1)CC1CCCOC1.
What is the InChIKey of 3-[2-methyl-4-(oxan-4-yl)butyl]oxane?
The InChIKey is AQNQZLHXVLOMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-13(11-15-3-2-8-17-12-15)4-5-14-6-9-16-10-7-14/h13-15H,2-12H2,1H3.
What are the key properties of 3-[2-methyl-4-(oxan-4-yl)butyl]oxane?
3-[2-methyl-4-(oxan-4-yl)butyl]oxane has a molecular weight of 240.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-(oxan-4-yl)butyl]oxane is sourced from PubChem (CID 173376707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).