6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane

C12H20O3 — CID 66579389

IUPAC6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane
SMILESC=CCCCC1COCCC12OCCO2
InChIInChI=1S/C12H20O3/c1-2-3-4-5-11-10-13-7-6-12(11)14-8-9-15-12/h2,11H,1,3-10H2
InChIKeyYUJFLRJOXMBVSR-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.12
Rot. Bonds4

About 6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane

6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane (PubChem CID 66579389) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane
PubChem CID66579389
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane
SMILESC=CCCCC1COCCC12OCCO2
InChIInChI=1S/C12H20O3/c1-2-3-4-5-11-10-13-7-6-12(11)14-8-9-15-12/h2,11H,1,3-10H2
InChIKeyYUJFLRJOXMBVSR-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane?
The IUPAC name of 6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane (CID 66579389) is 6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane.
What is the SMILES notation for 6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane?
The canonical SMILES for 6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane is C=CCCCC1COCCC12OCCO2.
What is the InChIKey of 6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane?
The InChIKey is YUJFLRJOXMBVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-3-4-5-11-10-13-7-6-12(11)14-8-9-15-12/h2,11H,1,3-10H2.
What are the key properties of 6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane?
6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane has a molecular weight of 212.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pent-4-enyl-1,4,8-trioxaspiro[4.5]decane is sourced from PubChem (CID 66579389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).