[(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol

C9H16O4 — CID 172645646

IUPAC[(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol
SMILESCOCO[C@H]1C=C[C@@H](CO)[C@H]1CO
InChIInChI=1S/C9H16O4/c1-12-6-13-9-3-2-7(4-10)8(9)5-11/h2-3,7-11H,4-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeySOUSDANGKAIQRG-YIZRAAEISA-N
MW188.22 g/mol
LogP-0.24
Rot. Bonds5

About [(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol

[(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol (PubChem CID 172645646) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is [(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol
PubChem CID172645646
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name[(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol
SMILESCOCO[C@H]1C=C[C@@H](CO)[C@H]1CO
InChIInChI=1S/C9H16O4/c1-12-6-13-9-3-2-7(4-10)8(9)5-11/h2-3,7-11H,4-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeySOUSDANGKAIQRG-YIZRAAEISA-N
XLogP-0.24
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol (CID 172645646) is [(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol is COCO[C@H]1C=C[C@@H](CO)[C@H]1CO.
What is the InChIKey of [(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol?
The InChIKey is SOUSDANGKAIQRG-YIZRAAEISA-N. The full InChI is InChI=1S/C9H16O4/c1-12-6-13-9-3-2-7(4-10)8(9)5-11/h2-3,7-11H,4-6H2,1H3/t7-,8+,9-/m0/s1.
What are the key properties of [(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol?
[(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol has a molecular weight of 188.22 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 172645646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).