(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde

C20H38O4 — CID 11110657

IUPAC(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde
SMILESCCCCCCCCCCCC[C@@H](OCOC)[C@H]1CC[C@H](C=O)O1
InChIInChI=1S/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-19(23-17-22-2)20-15-14-18(16-21)24-20/h16,18-20H,3-15,17H2,1-2H3/t18-,19-,20-/m1/s1
InChIKeyGUITXQVNDLZMLO-VAMGGRTRSA-N
MW342.52 g/mol
LogP5.03
Rot. Bonds16

About (2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde

(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde (PubChem CID 11110657) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is (2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde
PubChem CID11110657
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde
SMILESCCCCCCCCCCCC[C@@H](OCOC)[C@H]1CC[C@H](C=O)O1
InChIInChI=1S/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-19(23-17-22-2)20-15-14-18(16-21)24-20/h16,18-20H,3-15,17H2,1-2H3/t18-,19-,20-/m1/s1
InChIKeyGUITXQVNDLZMLO-VAMGGRTRSA-N
XLogP5.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde?
The IUPAC name of (2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde (CID 11110657) is (2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde.
What is the SMILES notation for (2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde?
The canonical SMILES for (2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde is CCCCCCCCCCCC[C@@H](OCOC)[C@H]1CC[C@H](C=O)O1.
What is the InChIKey of (2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde?
The InChIKey is GUITXQVNDLZMLO-VAMGGRTRSA-N. The full InChI is InChI=1S/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-19(23-17-22-2)20-15-14-18(16-21)24-20/h16,18-20H,3-15,17H2,1-2H3/t18-,19-,20-/m1/s1.
What are the key properties of (2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde?
(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde has a molecular weight of 342.52 g/mol, XLogP of 5.03, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolane-2-carbaldehyde is sourced from PubChem (CID 11110657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).