5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde

C8H14O5 — CID 15322823

IUPAC5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde
SMILESCOC1OC(CO)(OC)CC1C=O
InChIInChI=1S/C8H14O5/c1-11-7-6(4-9)3-8(5-10,12-2)13-7/h4,6-7,10H,3,5H2,1-2H3
InChIKeyHDTWYCZHOFKQQD-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.47
Rot. Bonds4

About 5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde

5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde (PubChem CID 15322823) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde
PubChem CID15322823
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde
SMILESCOC1OC(CO)(OC)CC1C=O
InChIInChI=1S/C8H14O5/c1-11-7-6(4-9)3-8(5-10,12-2)13-7/h4,6-7,10H,3,5H2,1-2H3
InChIKeyHDTWYCZHOFKQQD-UHFFFAOYSA-N
XLogP-0.47
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde?
The IUPAC name of 5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde (CID 15322823) is 5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde.
What is the SMILES notation for 5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde?
The canonical SMILES for 5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde is COC1OC(CO)(OC)CC1C=O.
What is the InChIKey of 5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde?
The InChIKey is HDTWYCZHOFKQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-11-7-6(4-9)3-8(5-10,12-2)13-7/h4,6-7,10H,3,5H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde?
5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde has a molecular weight of 190.19 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,5-dimethoxyoxolane-3-carbaldehyde is sourced from PubChem (CID 15322823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).