4-prop-2-enoxy-1-oxaspiro[2.5]octane

C10H16O2 — CID 12030292

IUPAC4-prop-2-enoxy-1-oxaspiro[2.5]octane
SMILESC=CCOC1CCCCC12CO2
InChIInChI=1S/C10H16O2/c1-2-7-11-9-5-3-4-6-10(9)8-12-10/h2,9H,1,3-8H2
InChIKeyZJLTVUZZXYUUAA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.90
Rot. Bonds3

About 4-prop-2-enoxy-1-oxaspiro[2.5]octane

4-prop-2-enoxy-1-oxaspiro[2.5]octane (PubChem CID 12030292) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-prop-2-enoxy-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name4-prop-2-enoxy-1-oxaspiro[2.5]octane
PubChem CID12030292
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-prop-2-enoxy-1-oxaspiro[2.5]octane
SMILESC=CCOC1CCCCC12CO2
InChIInChI=1S/C10H16O2/c1-2-7-11-9-5-3-4-6-10(9)8-12-10/h2,9H,1,3-8H2
InChIKeyZJLTVUZZXYUUAA-UHFFFAOYSA-N
XLogP1.90
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1s,2s)-1-Methyl-1,2-bis(prop-2-en-1-yloxy)-cyclohexane
CID 134158789
3-(Prop-2-enyloxy)-1-oxaspiro[4.5]decane
CID 137552829
(3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane
CID 154720351
2-[(1-Ethenylcyclohexyl)oxymethyl]oxirane
CID 23431528
2-[[4-(Prop-2-enoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 90340130
2-[2-(Cyclohexylmethoxy)prop-2-enoxymethyl]oxirane
CID 118870811

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-1-oxaspiro[2.5]octane?
The IUPAC name of 4-prop-2-enoxy-1-oxaspiro[2.5]octane (CID 12030292) is 4-prop-2-enoxy-1-oxaspiro[2.5]octane.
What is the SMILES notation for 4-prop-2-enoxy-1-oxaspiro[2.5]octane?
The canonical SMILES for 4-prop-2-enoxy-1-oxaspiro[2.5]octane is C=CCOC1CCCCC12CO2.
What is the InChIKey of 4-prop-2-enoxy-1-oxaspiro[2.5]octane?
The InChIKey is ZJLTVUZZXYUUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-7-11-9-5-3-4-6-10(9)8-12-10/h2,9H,1,3-8H2.
What are the key properties of 4-prop-2-enoxy-1-oxaspiro[2.5]octane?
4-prop-2-enoxy-1-oxaspiro[2.5]octane has a molecular weight of 168.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-1-oxaspiro[2.5]octane is sourced from PubChem (CID 12030292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).