(2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane

C13H26O — CID 135251653

IUPAC(2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane
SMILESCC(C)(C)C[C@@H]1CO[C@H]1CC(C)(C)C
InChIInChI=1S/C13H26O/c1-12(2,3)7-10-9-14-11(10)8-13(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyFWROKRQGGXTCTR-MNOVXSKESA-N
MW198.35 g/mol
LogP3.87
Rot. Bonds2

About (2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane

(2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane (PubChem CID 135251653) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane.

Molecular Properties

Compound Name(2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane
PubChem CID135251653
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane
SMILESCC(C)(C)C[C@@H]1CO[C@H]1CC(C)(C)C
InChIInChI=1S/C13H26O/c1-12(2,3)7-10-9-14-11(10)8-13(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyFWROKRQGGXTCTR-MNOVXSKESA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane?
The IUPAC name of (2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane (CID 135251653) is (2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane.
What is the SMILES notation for (2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane?
The canonical SMILES for (2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane is CC(C)(C)C[C@@H]1CO[C@H]1CC(C)(C)C.
What is the InChIKey of (2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane?
The InChIKey is FWROKRQGGXTCTR-MNOVXSKESA-N. The full InChI is InChI=1S/C13H26O/c1-12(2,3)7-10-9-14-11(10)8-13(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of (2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane?
(2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane has a molecular weight of 198.35 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-bis(2,2-dimethylpropyl)oxetane is sourced from PubChem (CID 135251653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).