5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde

C19H28O5S — CID 89030774

IUPAC5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(CCC[C@@H]2[C@@H](CO)[C@H](OC3CCCCO3)C[C@@H]2O)s1
InChIInChI=1S/C19H28O5S/c20-11-14-8-7-13(25-14)4-3-5-15-16(12-21)18(10-17(15)22)24-19-6-1-2-9-23-19/h7-8,11,15-19,21-22H,1-6,9-10,12H2/t15-,16-,17+,18-,19?/m1/s1
InChIKeyZKZFBZMRAHJUCK-DQROZCCUSA-N
MW368.50 g/mol
LogP2.78
Rot. Bonds8

About 5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde

5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde (PubChem CID 89030774) has the molecular formula C19H28O5S and a molecular weight of 368.50 g/mol. Its IUPAC name is 5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde
PubChem CID89030774
Molecular FormulaC19H28O5S
Molecular Weight368.50 g/mol
Exact Mass368.17
IUPAC Name5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(CCC[C@@H]2[C@@H](CO)[C@H](OC3CCCCO3)C[C@@H]2O)s1
InChIInChI=1S/C19H28O5S/c20-11-14-8-7-13(25-14)4-3-5-15-16(12-21)18(10-17(15)22)24-19-6-1-2-9-23-19/h7-8,11,15-19,21-22H,1-6,9-10,12H2/t15-,16-,17+,18-,19?/m1/s1
InChIKeyZKZFBZMRAHJUCK-DQROZCCUSA-N
XLogP2.78
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate
CID 59468128
5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde
CID 89030775
methyl 5-[3-[(2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate
CID 143884188
methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate
CID 57929259
methyl 5-[3-[(1R,2S,3R,5S)-2-(hydroxymethyl)-3,5-bis(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate
CID 59180029
methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate
CID 59468129
methyl 5-[3-[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate
CID 59860504
2-[(1S,2R,3S,5R)-5-hydroxy-3-(oxan-2-yloxy)-2-[1-(oxan-2-yloxy)-4-thiophen-2-ylbutyl]cyclopentyl]acetic acid
CID 70607486
(1S,2R,3S,4R)-3-(hydroxymethyl)-2-[3-(5-methylthiophen-2-yl)propyl]-4-(oxan-2-yloxy)cyclopentan-1-ol
CID 71046470
2-[(1S,2S,3S,5R)-5-hydroxy-3-(oxan-2-yloxy)-2-[1-(oxan-2-yloxy)-5-thiophen-2-ylpent-1-enyl]cyclopentyl]acetaldehyde
CID 88795949
2-[(1S,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[1-(oxan-2-yloxy)-4-thiophen-2-ylbut-1-enyl]cyclopentyl]acetaldehyde
CID 88796021
2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[1-(oxan-2-yloxy)-4-thiophen-2-ylbutyl]cyclopentyl]acetaldehyde
CID 88796166

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde (CID 89030774) is 5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde is O=Cc1ccc(CCC[C@@H]2[C@@H](CO)[C@H](OC3CCCCO3)C[C@@H]2O)s1.
What is the InChIKey of 5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde?
The InChIKey is ZKZFBZMRAHJUCK-DQROZCCUSA-N. The full InChI is InChI=1S/C19H28O5S/c20-11-14-8-7-13(25-14)4-3-5-15-16(12-21)18(10-17(15)22)24-19-6-1-2-9-23-19/h7-8,11,15-19,21-22H,1-6,9-10,12H2/t15-,16-,17+,18-,19?/m1/s1.
What are the key properties of 5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde?
5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde has a molecular weight of 368.50 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1R,2S,3R,5S)-5-hydroxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 89030774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).