6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane

C10H16O3 — CID 66579448

IUPAC6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane
SMILESC=CCC1COCCC12OCCO2
InChIInChI=1S/C10H16O3/c1-2-3-9-8-11-5-4-10(9)12-6-7-13-10/h2,9H,1,3-8H2
InChIKeyAZDGWOTUSXKCRU-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.34
Rot. Bonds2

About 6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane

6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane (PubChem CID 66579448) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane
PubChem CID66579448
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane
SMILESC=CCC1COCCC12OCCO2
InChIInChI=1S/C10H16O3/c1-2-3-9-8-11-5-4-10(9)12-6-7-13-10/h2,9H,1,3-8H2
InChIKeyAZDGWOTUSXKCRU-UHFFFAOYSA-N
XLogP1.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane?
The IUPAC name of 6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane (CID 66579448) is 6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane.
What is the SMILES notation for 6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane?
The canonical SMILES for 6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane is C=CCC1COCCC12OCCO2.
What is the InChIKey of 6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane?
The InChIKey is AZDGWOTUSXKCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-9-8-11-5-4-10(9)12-6-7-13-10/h2,9H,1,3-8H2.
What are the key properties of 6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane?
6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane has a molecular weight of 184.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-1,4,8-trioxaspiro[4.5]decane is sourced from PubChem (CID 66579448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).