4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one

C10H16O3 — CID 118482963

IUPAC4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one
SMILESC=CC(=O)C(C)OC1(CC)COC1
InChIInChI=1S/C10H16O3/c1-4-9(11)8(3)13-10(5-2)6-12-7-10/h4,8H,1,5-7H2,2-3H3
InChIKeyUQZWGEZQVKTTPE-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.33
Rot. Bonds5

About 4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one

4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one (PubChem CID 118482963) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one.

Molecular Properties

Compound Name4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one
PubChem CID118482963
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one
SMILESC=CC(=O)C(C)OC1(CC)COC1
InChIInChI=1S/C10H16O3/c1-4-9(11)8(3)13-10(5-2)6-12-7-10/h4,8H,1,5-7H2,2-3H3
InChIKeyUQZWGEZQVKTTPE-UHFFFAOYSA-N
XLogP1.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one?
The IUPAC name of 4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one (CID 118482963) is 4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one.
What is the SMILES notation for 4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one?
The canonical SMILES for 4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one is C=CC(=O)C(C)OC1(CC)COC1.
What is the InChIKey of 4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one?
The InChIKey is UQZWGEZQVKTTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-9(11)8(3)13-10(5-2)6-12-7-10/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one?
4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one has a molecular weight of 184.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyloxetan-3-yl)oxypent-1-en-3-one is sourced from PubChem (CID 118482963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).