(2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane

C14H28O3 — CID 170102403

IUPAC(2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane
SMILESCC(C)(C)OC[C@H]1OCCCC1OC(C)(C)C
InChIInChI=1S/C14H28O3/c1-13(2,3)16-10-12-11(8-7-9-15-12)17-14(4,5)6/h11-12H,7-10H2,1-6H3/t11?,12-/m1/s1
InChIKeyYQAHPSLVKAVVOW-PIJUOVFKSA-N
MW244.37 g/mol
LogP3.16
Rot. Bonds3

About (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane

(2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane (PubChem CID 170102403) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane.

Molecular Properties

Compound Name(2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane
PubChem CID170102403
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name(2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane
SMILESCC(C)(C)OC[C@H]1OCCCC1OC(C)(C)C
InChIInChI=1S/C14H28O3/c1-13(2,3)16-10-12-11(8-7-9-15-12)17-14(4,5)6/h11-12H,7-10H2,1-6H3/t11?,12-/m1/s1
InChIKeyYQAHPSLVKAVVOW-PIJUOVFKSA-N
XLogP3.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane?
The IUPAC name of (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane (CID 170102403) is (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane.
What is the SMILES notation for (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane?
The canonical SMILES for (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane is CC(C)(C)OC[C@H]1OCCCC1OC(C)(C)C.
What is the InChIKey of (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane?
The InChIKey is YQAHPSLVKAVVOW-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H28O3/c1-13(2,3)16-10-12-11(8-7-9-15-12)17-14(4,5)6/h11-12H,7-10H2,1-6H3/t11?,12-/m1/s1.
What are the key properties of (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane?
(2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane has a molecular weight of 244.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxane is sourced from PubChem (CID 170102403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).