(4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane

C12H20O — CID 139248668

IUPAC(4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane
SMILESC=CCC[C@@H]1CCCCCC12CO2
InChIInChI=1S/C12H20O/c1-2-3-7-11-8-5-4-6-9-12(11)10-13-12/h2,11H,1,3-10H2/t11-,12?/m1/s1
InChIKeyUYKURPAFFURBMA-JHJMLUEUSA-N
MW180.29 g/mol
LogP3.30
Rot. Bonds3

About (4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane

(4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane (PubChem CID 139248668) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane.

Molecular Properties

Compound Name(4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane
PubChem CID139248668
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane
SMILESC=CCC[C@@H]1CCCCCC12CO2
InChIInChI=1S/C12H20O/c1-2-3-7-11-8-5-4-6-9-12(11)10-13-12/h2,11H,1,3-10H2/t11-,12?/m1/s1
InChIKeyUYKURPAFFURBMA-JHJMLUEUSA-N
XLogP3.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.30
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
1-Methoxy-1-(2-propenyl)cycloheptane
CID 12148225
4-But-3-enyl-1-oxaspiro[2.4]heptane
CID 14264965
(3R,4S)-4-prop-2-enyl-1-oxaspiro[2.5]octane
CID 15937102
(4S)-4-but-3-enyl-1-oxaspiro[2.4]heptane
CID 139248667
(4S)-4-but-3-enyl-1-oxaspiro[2.5]octane
CID 139248669
2-Ethyl-3-(3-ethylpent-4-enyl)-2-methyloxirane
CID 20220189
4-Ethenyl-1-methoxy-3-methyloctane
CID 91426806
2-Oct-7-en-2-yloxirane
CID 137456039
1-Prop-2-enyl-8-oxabicyclo[5.1.0]octane
CID 140031742
3-Ethenyl-1,7-dimethyl-8-oxabicyclo[5.1.0]octane
CID 140094235
3-(2-Methoxypropan-2-yl)undec-1-ene
CID 149739407

Frequently Asked Questions

What is the IUPAC name of (4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane?
The IUPAC name of (4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane (CID 139248668) is (4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane.
What is the SMILES notation for (4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane?
The canonical SMILES for (4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane is C=CCC[C@@H]1CCCCCC12CO2.
What is the InChIKey of (4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane?
The InChIKey is UYKURPAFFURBMA-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-7-11-8-5-4-6-9-12(11)10-13-12/h2,11H,1,3-10H2/t11-,12?/m1/s1.
What are the key properties of (4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane?
(4S)-4-but-3-enyl-1-oxaspiro[2.6]nonane has a molecular weight of 180.29 g/mol, XLogP of 3.30, 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[2.6]nonane is sourced from PubChem (CID 139248668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).