(2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane

C8H16O2 — CID 170847914

IUPAC(2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane
SMILESC[C@@H]1CO[C@@H](C(C)(C)C)O1
InChIInChI=1S/C8H16O2/c1-6-5-9-7(10-6)8(2,3)4/h6-7H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyHXZAHJCDQZCFMZ-RNFRBKRXSA-N
MW144.21 g/mol
LogP1.79
Rot. Bonds

About (2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane

(2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane (PubChem CID 170847914) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane
PubChem CID170847914
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane
SMILESC[C@@H]1CO[C@@H](C(C)(C)C)O1
InChIInChI=1S/C8H16O2/c1-6-5-9-7(10-6)8(2,3)4/h6-7H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyHXZAHJCDQZCFMZ-RNFRBKRXSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane?
The IUPAC name of (2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane (CID 170847914) is (2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane.
What is the SMILES notation for (2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane?
The canonical SMILES for (2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane is C[C@@H]1CO[C@@H](C(C)(C)C)O1.
What is the InChIKey of (2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane?
The InChIKey is HXZAHJCDQZCFMZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-5-9-7(10-6)8(2,3)4/h6-7H,5H2,1-4H3/t6-,7-/m1/s1.
What are the key properties of (2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane?
(2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane has a molecular weight of 144.21 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane is sourced from PubChem (CID 170847914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).