2-(deuteriooxymethoxy)but-1-ene

C5H10O2 — CID 88855358

IUPAC2-(deuteriooxymethoxy)but-1-ene
SMILES[2H]OCOC(=C)CC
InChIInChI=1S/C5H10O2/c1-3-5(2)7-4-6/h6H,2-4H2,1H3/i6D
InChIKeyRVDRLZLJBPRCCV-RAMDWTOOSA-N
MW103.14 g/mol
LogP0.88
Rot. Bonds4

About 2-(deuteriooxymethoxy)but-1-ene

2-(deuteriooxymethoxy)but-1-ene (PubChem CID 88855358) has the molecular formula C5H10O2 and a molecular weight of 103.14 g/mol. Its IUPAC name is 2-(deuteriooxymethoxy)but-1-ene.

Molecular Properties

Compound Name2-(deuteriooxymethoxy)but-1-ene
PubChem CID88855358
Molecular FormulaC5H10O2
Molecular Weight103.14 g/mol
Exact Mass103.07
IUPAC Name2-(deuteriooxymethoxy)but-1-ene
SMILES[2H]OCOC(=C)CC
InChIInChI=1S/C5H10O2/c1-3-5(2)7-4-6/h6H,2-4H2,1H3/i6D
InChIKeyRVDRLZLJBPRCCV-RAMDWTOOSA-N
XLogP0.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(deuteriooxymethoxy)but-1-ene?
The IUPAC name of 2-(deuteriooxymethoxy)but-1-ene (CID 88855358) is 2-(deuteriooxymethoxy)but-1-ene.
What is the SMILES notation for 2-(deuteriooxymethoxy)but-1-ene?
The canonical SMILES for 2-(deuteriooxymethoxy)but-1-ene is [2H]OCOC(=C)CC.
What is the InChIKey of 2-(deuteriooxymethoxy)but-1-ene?
The InChIKey is RVDRLZLJBPRCCV-RAMDWTOOSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-5(2)7-4-6/h6H,2-4H2,1H3/i6D.
What are the key properties of 2-(deuteriooxymethoxy)but-1-ene?
2-(deuteriooxymethoxy)but-1-ene has a molecular weight of 103.14 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(deuteriooxymethoxy)but-1-ene is sourced from PubChem (CID 88855358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).