(1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol

C10H17IO6 — CID 11428359

IUPAC(1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol
SMILESCOCO[C@H]1C=C(I)[C@@](O)(CO)[C@@H]1OCOC
InChIInChI=1S/C10H17IO6/c1-14-5-16-7-3-8(11)10(13,4-12)9(7)17-6-15-2/h3,7,9,12-13H,4-6H2,1-2H3/t7-,9+,10-/m0/s1
InChIKeyTZXKRBTYCFNRLH-SFGNSQDASA-N
MW360.14 g/mol
LogP0.02
Rot. Bonds7

About (1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol

(1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol (PubChem CID 11428359) has the molecular formula C10H17IO6 and a molecular weight of 360.14 g/mol. Its IUPAC name is (1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol
PubChem CID11428359
Molecular FormulaC10H17IO6
Molecular Weight360.14 g/mol
Exact Mass360.01
IUPAC Name(1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol
SMILESCOCO[C@H]1C=C(I)[C@@](O)(CO)[C@@H]1OCOC
InChIInChI=1S/C10H17IO6/c1-14-5-16-7-3-8(11)10(13,4-12)9(7)17-6-15-2/h3,7,9,12-13H,4-6H2,1-2H3/t7-,9+,10-/m0/s1
InChIKeyTZXKRBTYCFNRLH-SFGNSQDASA-N
XLogP0.02
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.14
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol?
The IUPAC name of (1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol (CID 11428359) is (1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol?
The canonical SMILES for (1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol is COCO[C@H]1C=C(I)[C@@](O)(CO)[C@@H]1OCOC.
What is the InChIKey of (1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol?
The InChIKey is TZXKRBTYCFNRLH-SFGNSQDASA-N. The full InChI is InChI=1S/C10H17IO6/c1-14-5-16-7-3-8(11)10(13,4-12)9(7)17-6-15-2/h3,7,9,12-13H,4-6H2,1-2H3/t7-,9+,10-/m0/s1.
What are the key properties of (1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol?
(1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol has a molecular weight of 360.14 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R)-1-(hydroxymethyl)-2-iodo-4,5-bis(methoxymethoxy)cyclopent-2-en-1-ol is sourced from PubChem (CID 11428359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).