(2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde

C8H14O3 — CID 143368092

IUPAC(2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde
SMILESC[C@H]1[C@@H](C=O)[C@H](C)O[C@@H]1CO
InChIInChI=1S/C8H14O3/c1-5-7(3-9)6(2)11-8(5)4-10/h3,5-8,10H,4H2,1-2H3/t5-,6-,7+,8+/m0/s1
InChIKeyVVFSLXPIQYAZPF-RULNZFCNSA-N
MW158.20 g/mol
LogP0.22
Rot. Bonds2

About (2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde

(2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde (PubChem CID 143368092) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde.

Molecular Properties

Compound Name(2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde
PubChem CID143368092
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde
SMILESC[C@H]1[C@@H](C=O)[C@H](C)O[C@@H]1CO
InChIInChI=1S/C8H14O3/c1-5-7(3-9)6(2)11-8(5)4-10/h3,5-8,10H,4H2,1-2H3/t5-,6-,7+,8+/m0/s1
InChIKeyVVFSLXPIQYAZPF-RULNZFCNSA-N
XLogP0.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde?
The IUPAC name of (2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde (CID 143368092) is (2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde.
What is the SMILES notation for (2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde?
The canonical SMILES for (2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde is C[C@H]1[C@@H](C=O)[C@H](C)O[C@@H]1CO.
What is the InChIKey of (2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde?
The InChIKey is VVFSLXPIQYAZPF-RULNZFCNSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-7(3-9)6(2)11-8(5)4-10/h3,5-8,10H,4H2,1-2H3/t5-,6-,7+,8+/m0/s1.
What are the key properties of (2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde?
(2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde has a molecular weight of 158.20 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-5-(hydroxymethyl)-2,4-dimethyloxolane-3-carbaldehyde is sourced from PubChem (CID 143368092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).