(4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane

C10H16O — CID 139248667

IUPAC(4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane
SMILESC=CCC[C@@H]1CCCC12CO2
InChIInChI=1S/C10H16O/c1-2-3-5-9-6-4-7-10(9)8-11-10/h2,9H,1,3-8H2/t9-,10?/m1/s1
InChIKeyAHZCCCQGLRYRKI-YHMJZVADSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds3

About (4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane

(4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane (PubChem CID 139248667) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane.

Molecular Properties

Compound Name(4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane
PubChem CID139248667
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane
SMILESC=CCC[C@@H]1CCCC12CO2
InChIInChI=1S/C10H16O/c1-2-3-5-9-6-4-7-10(9)8-11-10/h2,9H,1,3-8H2/t9-,10?/m1/s1
InChIKeyAHZCCCQGLRYRKI-YHMJZVADSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane?
The IUPAC name of (4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane (CID 139248667) is (4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane.
What is the SMILES notation for (4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane?
The canonical SMILES for (4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane is C=CCC[C@@H]1CCCC12CO2.
What is the InChIKey of (4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane?
The InChIKey is AHZCCCQGLRYRKI-YHMJZVADSA-N. The full InChI is InChI=1S/C10H16O/c1-2-3-5-9-6-4-7-10(9)8-11-10/h2,9H,1,3-8H2/t9-,10?/m1/s1.
What are the key properties of (4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane?
(4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane has a molecular weight of 152.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane is sourced from PubChem (CID 139248667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).