(3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene

C12H18O5 — CID 11168516

IUPAC(3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene
SMILESC#CCO[C@H]1C=C[C@@H](OCOC)[C@H]1OCOC
InChIInChI=1S/C12H18O5/c1-4-7-15-10-5-6-11(16-8-13-2)12(10)17-9-14-3/h1,5-6,10-12H,7-9H2,2-3H3/t10-,11+,12-/m0/s1
InChIKeyXZZFDYAIRIRCEK-TUAOUCFPSA-N
MW242.27 g/mol
LogP0.55
Rot. Bonds8

About (3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene

(3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene (PubChem CID 11168516) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is (3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene.

Molecular Properties

Compound Name(3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene
PubChem CID11168516
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene
SMILESC#CCO[C@H]1C=C[C@@H](OCOC)[C@H]1OCOC
InChIInChI=1S/C12H18O5/c1-4-7-15-10-5-6-11(16-8-13-2)12(10)17-9-14-3/h1,5-6,10-12H,7-9H2,2-3H3/t10-,11+,12-/m0/s1
InChIKeyXZZFDYAIRIRCEK-TUAOUCFPSA-N
XLogP0.55
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene?
The IUPAC name of (3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene (CID 11168516) is (3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene.
What is the SMILES notation for (3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene?
The canonical SMILES for (3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene is C#CCO[C@H]1C=C[C@@H](OCOC)[C@H]1OCOC.
What is the InChIKey of (3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene?
The InChIKey is XZZFDYAIRIRCEK-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H18O5/c1-4-7-15-10-5-6-11(16-8-13-2)12(10)17-9-14-3/h1,5-6,10-12H,7-9H2,2-3H3/t10-,11+,12-/m0/s1.
What are the key properties of (3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene?
(3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene has a molecular weight of 242.27 g/mol, XLogP of 0.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3,4-bis(methoxymethoxy)-5-prop-2-ynoxycyclopentene is sourced from PubChem (CID 11168516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).