(3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane

C10H16O2 — CID 154720351

IUPAC(3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane
SMILESC=CCO[C@H]1CCCC[C@]12CO2
InChIInChI=1S/C10H16O2/c1-2-7-11-9-5-3-4-6-10(9)8-12-10/h2,9H,1,3-8H2/t9-,10-/m0/s1
InChIKeyZJLTVUZZXYUUAA-UWVGGRQHSA-N
MW168.24 g/mol
LogP1.90
Rot. Bonds3

About (3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane

(3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane (PubChem CID 154720351) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane
PubChem CID154720351
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane
SMILESC=CCO[C@H]1CCCC[C@]12CO2
InChIInChI=1S/C10H16O2/c1-2-7-11-9-5-3-4-6-10(9)8-12-10/h2,9H,1,3-8H2/t9-,10-/m0/s1
InChIKeyZJLTVUZZXYUUAA-UWVGGRQHSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane?
The IUPAC name of (3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane (CID 154720351) is (3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane.
What is the SMILES notation for (3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane?
The canonical SMILES for (3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane is C=CCO[C@H]1CCCC[C@]12CO2.
What is the InChIKey of (3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane?
The InChIKey is ZJLTVUZZXYUUAA-UWVGGRQHSA-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/t9-,10-/m0/s1.
What are the key properties of (3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane?
(3S,4S)-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 (3S,4S)-4-prop-2-enoxy-1-oxaspiro[2.5]octane is sourced from PubChem (CID 154720351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).