(3S,4S)-3-ethyl-4-methyldioxetane

C5H10O2 — CID 131844033

IUPAC(3S,4S)-3-ethyl-4-methyldioxetane
SMILESCC[C@@H]1OO[C@H]1C
InChIInChI=1S/C5H10O2/c1-3-5-4(2)6-7-5/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyVCMJYXVCCZJEEJ-WHFBIAKZSA-N
MW102.13 g/mol
LogP1.12
Rot. Bonds1

About (3S,4S)-3-ethyl-4-methyldioxetane

(3S,4S)-3-ethyl-4-methyldioxetane (PubChem CID 131844033) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is (3S,4S)-3-ethyl-4-methyldioxetane.

Molecular Properties

Compound Name(3S,4S)-3-ethyl-4-methyldioxetane
PubChem CID131844033
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name(3S,4S)-3-ethyl-4-methyldioxetane
SMILESCC[C@@H]1OO[C@H]1C
InChIInChI=1S/C5H10O2/c1-3-5-4(2)6-7-5/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyVCMJYXVCCZJEEJ-WHFBIAKZSA-N
XLogP1.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-ethyl-4-methyldioxetane?
The IUPAC name of (3S,4S)-3-ethyl-4-methyldioxetane (CID 131844033) is (3S,4S)-3-ethyl-4-methyldioxetane.
What is the SMILES notation for (3S,4S)-3-ethyl-4-methyldioxetane?
The canonical SMILES for (3S,4S)-3-ethyl-4-methyldioxetane is CC[C@@H]1OO[C@H]1C.
What is the InChIKey of (3S,4S)-3-ethyl-4-methyldioxetane?
The InChIKey is VCMJYXVCCZJEEJ-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-5-4(2)6-7-5/h4-5H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-3-ethyl-4-methyldioxetane?
(3S,4S)-3-ethyl-4-methyldioxetane has a molecular weight of 102.13 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-ethyl-4-methyldioxetane is sourced from PubChem (CID 131844033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).