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

C20H38O2 — CID 167264086

IUPAC4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane
SMILESCC(CC1CC(CC(C)(C)C)CCO1)C(C)C1CCOCC1
InChIInChI=1S/C20H38O2/c1-15(16(2)18-7-9-21-10-8-18)12-19-13-17(6-11-22-19)14-20(3,4)5/h15-19H,6-14H2,1-5H3
InChIKeyTVUWMOULEXTTNQ-UHFFFAOYSA-N
MW310.52 g/mol
LogP5.31
Rot. Bonds5

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

4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane (PubChem CID 167264086) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane
PubChem CID167264086
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane
SMILESCC(CC1CC(CC(C)(C)C)CCO1)C(C)C1CCOCC1
InChIInChI=1S/C20H38O2/c1-15(16(2)18-7-9-21-10-8-18)12-19-13-17(6-11-22-19)14-20(3,4)5/h15-19H,6-14H2,1-5H3
InChIKeyTVUWMOULEXTTNQ-UHFFFAOYSA-N
XLogP5.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane (CID 167264086) is 4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane is CC(CC1CC(CC(C)(C)C)CCO1)C(C)C1CCOCC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane?
The InChIKey is TVUWMOULEXTTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-15(16(2)18-7-9-21-10-8-18)12-19-13-17(6-11-22-19)14-20(3,4)5/h15-19H,6-14H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane?
4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane has a molecular weight of 310.52 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-[2-methyl-3-(oxan-4-yl)butyl]oxane is sourced from PubChem (CID 167264086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).