(2S,3R)-2-methyloxolane-3-carbaldehyde

C6H10O2 — CID 92908099

IUPAC(2S,3R)-2-methyloxolane-3-carbaldehyde
SMILESC[C@@H]1OCC[C@H]1C=O
InChIInChI=1S/C6H10O2/c1-5-6(4-7)2-3-8-5/h4-6H,2-3H2,1H3/t5-,6-/m0/s1
InChIKeyLYPDDLMXKIDIDR-WDSKDSINSA-N
MW114.14 g/mol
LogP0.61
Rot. Bonds1

About (2S,3R)-2-methyloxolane-3-carbaldehyde

(2S,3R)-2-methyloxolane-3-carbaldehyde (PubChem CID 92908099) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2S,3R)-2-methyloxolane-3-carbaldehyde.

Molecular Properties

Compound Name(2S,3R)-2-methyloxolane-3-carbaldehyde
PubChem CID92908099
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2S,3R)-2-methyloxolane-3-carbaldehyde
SMILESC[C@@H]1OCC[C@H]1C=O
InChIInChI=1S/C6H10O2/c1-5-6(4-7)2-3-8-5/h4-6H,2-3H2,1H3/t5-,6-/m0/s1
InChIKeyLYPDDLMXKIDIDR-WDSKDSINSA-N
XLogP0.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyloxolane-3-carbaldehyde?
The IUPAC name of (2S,3R)-2-methyloxolane-3-carbaldehyde (CID 92908099) is (2S,3R)-2-methyloxolane-3-carbaldehyde.
What is the SMILES notation for (2S,3R)-2-methyloxolane-3-carbaldehyde?
The canonical SMILES for (2S,3R)-2-methyloxolane-3-carbaldehyde is C[C@@H]1OCC[C@H]1C=O.
What is the InChIKey of (2S,3R)-2-methyloxolane-3-carbaldehyde?
The InChIKey is LYPDDLMXKIDIDR-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10O2/c1-5-6(4-7)2-3-8-5/h4-6H,2-3H2,1H3/t5-,6-/m0/s1.
What are the key properties of (2S,3R)-2-methyloxolane-3-carbaldehyde?
(2S,3R)-2-methyloxolane-3-carbaldehyde has a molecular weight of 114.14 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyloxolane-3-carbaldehyde is sourced from PubChem (CID 92908099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).