4-deuteriooxycyclopentene

C5H8O — CID 134854196

IUPAC4-deuteriooxycyclopentene
SMILES[2H]OC1CC=CC1
InChIInChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2/i6D
InChIKeyWEIMJSIRDZDHAH-RAMDWTOOSA-N
MW85.12 g/mol
LogP0.70
Rot. Bonds1

About 4-deuteriooxycyclopentene

4-deuteriooxycyclopentene (PubChem CID 134854196) has the molecular formula C5H8O and a molecular weight of 85.12 g/mol. Its IUPAC name is 4-deuteriooxycyclopentene.

Molecular Properties

Compound Name4-deuteriooxycyclopentene
PubChem CID134854196
Molecular FormulaC5H8O
Molecular Weight85.12 g/mol
Exact Mass85.06
IUPAC Name4-deuteriooxycyclopentene
SMILES[2H]OC1CC=CC1
InChIInChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2/i6D
InChIKeyWEIMJSIRDZDHAH-RAMDWTOOSA-N
XLogP0.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.12
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-deuteriooxycyclopentene?
The IUPAC name of 4-deuteriooxycyclopentene (CID 134854196) is 4-deuteriooxycyclopentene.
What is the SMILES notation for 4-deuteriooxycyclopentene?
The canonical SMILES for 4-deuteriooxycyclopentene is [2H]OC1CC=CC1.
What is the InChIKey of 4-deuteriooxycyclopentene?
The InChIKey is WEIMJSIRDZDHAH-RAMDWTOOSA-N. The full InChI is InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2/i6D.
What are the key properties of 4-deuteriooxycyclopentene?
4-deuteriooxycyclopentene has a molecular weight of 85.12 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuteriooxycyclopentene is sourced from PubChem (CID 134854196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).