4-(2,3,3,4-tetramethylpentan-2-yl)oxane

C14H28O — CID 178045907

IUPAC4-(2,3,3,4-tetramethylpentan-2-yl)oxane
SMILESCC(C)C(C)(C)C(C)(C)C1CCOCC1
InChIInChI=1S/C14H28O/c1-11(2)13(3,4)14(5,6)12-7-9-15-10-8-12/h11-12H,7-10H2,1-6H3
InChIKeyHDVCUKIKMKFAQO-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.12
Rot. Bonds3

About 4-(2,3,3,4-tetramethylpentan-2-yl)oxane

4-(2,3,3,4-tetramethylpentan-2-yl)oxane (PubChem CID 178045907) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-(2,3,3,4-tetramethylpentan-2-yl)oxane.

Molecular Properties

Compound Name4-(2,3,3,4-tetramethylpentan-2-yl)oxane
PubChem CID178045907
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name4-(2,3,3,4-tetramethylpentan-2-yl)oxane
SMILESCC(C)C(C)(C)C(C)(C)C1CCOCC1
InChIInChI=1S/C14H28O/c1-11(2)13(3,4)14(5,6)12-7-9-15-10-8-12/h11-12H,7-10H2,1-6H3
InChIKeyHDVCUKIKMKFAQO-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol
CID 126978853
2,3-dimethyl-2-(oxan-4-yl)butanamide
CID 126509080
4-(3,3,4,4-tetramethylpentan-2-yl)oxane
CID 178120185
2-(oxan-4-yl)butan-2-amine
CID 63936671
4-(3,3-dimethylbutan-2-yl)oxane
CID 58260872
4-(2-methylbutan-2-yl)oxane
CID 91527752
4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol
CID 105442753
3-methyl-3-(oxan-4-yl)butan-2-one
CID 58834303
1-cyclohexyl-1-(oxan-4-yl)ethanol
CID 114794901
4-(2-methylpentan-2-yl)oxane
CID 129015452
2-(oxepan-4-yl)propan-2-amine
CID 84650641
(3R)-3-hydroxy-3-(oxan-4-yl)butanal
CID 97030759

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3,4-tetramethylpentan-2-yl)oxane?
The IUPAC name of 4-(2,3,3,4-tetramethylpentan-2-yl)oxane (CID 178045907) is 4-(2,3,3,4-tetramethylpentan-2-yl)oxane.
What is the SMILES notation for 4-(2,3,3,4-tetramethylpentan-2-yl)oxane?
The canonical SMILES for 4-(2,3,3,4-tetramethylpentan-2-yl)oxane is CC(C)C(C)(C)C(C)(C)C1CCOCC1.
What is the InChIKey of 4-(2,3,3,4-tetramethylpentan-2-yl)oxane?
The InChIKey is HDVCUKIKMKFAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-11(2)13(3,4)14(5,6)12-7-9-15-10-8-12/h11-12H,7-10H2,1-6H3.
What are the key properties of 4-(2,3,3,4-tetramethylpentan-2-yl)oxane?
4-(2,3,3,4-tetramethylpentan-2-yl)oxane has a molecular weight of 212.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3,4-tetramethylpentan-2-yl)oxane is sourced from PubChem (CID 178045907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).