2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde

C15H28O9 — CID 134872904

IUPAC2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde
SMILESCOCO[C@@H]1[C@H](OCOC)[C@H](OCOC)C(CC=O)[C@@H]1OCOC
InChIInChI=1S/C15H28O9/c1-17-7-21-12-11(5-6-16)13(22-8-18-2)15(24-10-20-4)14(12)23-9-19-3/h6,11-15H,5,7-10H2,1-4H3/t11?,12-,13+,14-,15+
InChIKeyYBMPWNOZIQFDSF-LFAHVKQVSA-N
MW352.38 g/mol
LogP0.16
Rot. Bonds14

About 2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde

2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde (PubChem CID 134872904) has the molecular formula C15H28O9 and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde
PubChem CID134872904
Molecular FormulaC15H28O9
Molecular Weight352.38 g/mol
Exact Mass352.17
IUPAC Name2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde
SMILESCOCO[C@@H]1[C@H](OCOC)[C@H](OCOC)C(CC=O)[C@@H]1OCOC
InChIInChI=1S/C15H28O9/c1-17-7-21-12-11(5-6-16)13(22-8-18-2)15(24-10-20-4)14(12)23-9-19-3/h6,11-15H,5,7-10H2,1-4H3/t11?,12-,13+,14-,15+
InChIKeyYBMPWNOZIQFDSF-LFAHVKQVSA-N
XLogP0.16
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde?
The IUPAC name of 2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde (CID 134872904) is 2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde?
The canonical SMILES for 2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde is COCO[C@@H]1[C@H](OCOC)[C@H](OCOC)C(CC=O)[C@@H]1OCOC.
What is the InChIKey of 2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde?
The InChIKey is YBMPWNOZIQFDSF-LFAHVKQVSA-N. The full InChI is InChI=1S/C15H28O9/c1-17-7-21-12-11(5-6-16)13(22-8-18-2)15(24-10-20-4)14(12)23-9-19-3/h6,11-15H,5,7-10H2,1-4H3/t11?,12-,13+,14-,15+.
What are the key properties of 2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde?
2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde has a molecular weight of 352.38 g/mol, XLogP of 0.16, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4S,5S)-2,3,4,5-tetrakis(methoxymethoxy)cyclopentyl]acetaldehyde is sourced from PubChem (CID 134872904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).