2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane

C17H34O2 — CID 121263512

IUPAC2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane
SMILESCC1C(CC(C)(C)C)OC(OC(C)(C)C)C(C)C1C
InChIInChI=1S/C17H34O2/c1-11-12(2)14(10-16(4,5)6)18-15(13(11)3)19-17(7,8)9/h11-15H,10H2,1-9H3
InChIKeyMKNLGCNCZJDAIK-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.87
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane

2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane (PubChem CID 121263512) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane
PubChem CID121263512
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane
SMILESCC1C(CC(C)(C)C)OC(OC(C)(C)C)C(C)C1C
InChIInChI=1S/C17H34O2/c1-11-12(2)14(10-16(4,5)6)18-15(13(11)3)19-17(7,8)9/h11-15H,10H2,1-9H3
InChIKeyMKNLGCNCZJDAIK-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane?
The IUPAC name of 2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane (CID 121263512) is 2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane is CC1C(CC(C)(C)C)OC(OC(C)(C)C)C(C)C1C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane?
The InChIKey is MKNLGCNCZJDAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-11-12(2)14(10-16(4,5)6)18-15(13(11)3)19-17(7,8)9/h11-15H,10H2,1-9H3.
What are the key properties of 2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane?
2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane has a molecular weight of 270.46 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane is sourced from PubChem (CID 121263512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).