(4S)-4-but-3-enyl-1-oxaspiro[2.5]octane

C11H18O — CID 139248669

IUPAC(4S)-4-but-3-enyl-1-oxaspiro[2.5]octane
SMILESC=CCC[C@@H]1CCCCC12CO2
InChIInChI=1S/C11H18O/c1-2-3-6-10-7-4-5-8-11(10)9-12-11/h2,10H,1,3-9H2/t10-,11?/m1/s1
InChIKeyGSZNCPJDSPPQFT-NFJWQWPMSA-N
MW166.26 g/mol
LogP2.91
Rot. Bonds3

About (4S)-4-but-3-enyl-1-oxaspiro[2.5]octane

(4S)-4-but-3-enyl-1-oxaspiro[2.5]octane (PubChem CID 139248669) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4S)-4-but-3-enyl-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(4S)-4-but-3-enyl-1-oxaspiro[2.5]octane
PubChem CID139248669
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4S)-4-but-3-enyl-1-oxaspiro[2.5]octane
SMILESC=CCC[C@@H]1CCCCC12CO2
InChIInChI=1S/C11H18O/c1-2-3-6-10-7-4-5-8-11(10)9-12-11/h2,10H,1,3-9H2/t10-,11?/m1/s1
InChIKeyGSZNCPJDSPPQFT-NFJWQWPMSA-N
XLogP2.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.91
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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Related Compounds

4-But-3-enyl-1-oxaspiro[2.5]octane
CID 11480652
(3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane
CID 15011476
(3R,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane
CID 15011477
(3R,4S)-4-prop-2-enyl-1-oxaspiro[2.5]octane
CID 15937102
(3R,4S)-5,5-dimethyl-4-prop-2-enyl-1-oxaspiro[2.5]octane
CID 102038580
(4aS,8aS)-8a-prop-2-enyl-4,4a,5,6,7,8-hexahydrochromene
CID 102326052
cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane
CID 134875272
(4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane
CID 139248668
1-Pent-4-enyl-7-oxabicyclo[4.1.0]heptane
CID 22401788
(3R,4S)-4-(cyclohexen-1-yl)-1-oxaspiro[2.5]octane
CID 23522985
2-[(4-Ethenylcyclohexyl)methyl]oxirane
CID 54336512
2-(2-Ethenylcyclohexyl)oxirane
CID 101316198

Frequently Asked Questions

What is the IUPAC name of (4S)-4-but-3-enyl-1-oxaspiro[2.5]octane?
The IUPAC name of (4S)-4-but-3-enyl-1-oxaspiro[2.5]octane (CID 139248669) is (4S)-4-but-3-enyl-1-oxaspiro[2.5]octane.
What is the SMILES notation for (4S)-4-but-3-enyl-1-oxaspiro[2.5]octane?
The canonical SMILES for (4S)-4-but-3-enyl-1-oxaspiro[2.5]octane is C=CCC[C@@H]1CCCCC12CO2.
What is the InChIKey of (4S)-4-but-3-enyl-1-oxaspiro[2.5]octane?
The InChIKey is GSZNCPJDSPPQFT-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-6-10-7-4-5-8-11(10)9-12-11/h2,10H,1,3-9H2/t10-,11?/m1/s1.
What are the key properties of (4S)-4-but-3-enyl-1-oxaspiro[2.5]octane?
(4S)-4-but-3-enyl-1-oxaspiro[2.5]octane has a molecular weight of 166.26 g/mol, XLogP of 2.91, 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[2.5]octane is sourced from PubChem (CID 139248669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).