3-ethenyl-1,4,8-trioxaspiro[4.5]decane

C9H14O3 — CID 143310490

IUPAC3-ethenyl-1,4,8-trioxaspiro[4.5]decane
SMILESC=CC1COC2(CCOCC2)O1
InChIInChI=1S/C9H14O3/c1-2-8-7-11-9(12-8)3-5-10-6-4-9/h2,8H,1,3-7H2
InChIKeyJOPPNADYSZGCLG-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.09
Rot. Bonds1

About 3-ethenyl-1,4,8-trioxaspiro[4.5]decane

3-ethenyl-1,4,8-trioxaspiro[4.5]decane (PubChem CID 143310490) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-ethenyl-1,4,8-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethenyl-1,4,8-trioxaspiro[4.5]decane
PubChem CID143310490
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name3-ethenyl-1,4,8-trioxaspiro[4.5]decane
SMILESC=CC1COC2(CCOCC2)O1
InChIInChI=1S/C9H14O3/c1-2-8-7-11-9(12-8)3-5-10-6-4-9/h2,8H,1,3-7H2
InChIKeyJOPPNADYSZGCLG-UHFFFAOYSA-N
XLogP1.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1,3-dioxolane-2,2-dithiol
CID 150124062
3-(chloromethyl)-1,4,8-trioxaspiro[4.5]decane
CID 82775173
(3R)-3-(chloromethyl)-1,4,8-trioxaspiro[4.5]decane
CID 129382017
3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane
CID 143254368
(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 10855919
2,8-bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 134840281
(2R,8R)-2,8-bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 101440859
4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol
CID 87747392
2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 58827418
3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5,9-trioxaspiro[5.5]undecane-4-carboxylic acid
CID 168798208
CID 59269616
CID 59269616
(Z)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol
CID 13182088

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,4,8-trioxaspiro[4.5]decane?
The IUPAC name of 3-ethenyl-1,4,8-trioxaspiro[4.5]decane (CID 143310490) is 3-ethenyl-1,4,8-trioxaspiro[4.5]decane.
What is the SMILES notation for 3-ethenyl-1,4,8-trioxaspiro[4.5]decane?
The canonical SMILES for 3-ethenyl-1,4,8-trioxaspiro[4.5]decane is C=CC1COC2(CCOCC2)O1.
What is the InChIKey of 3-ethenyl-1,4,8-trioxaspiro[4.5]decane?
The InChIKey is JOPPNADYSZGCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-8-7-11-9(12-8)3-5-10-6-4-9/h2,8H,1,3-7H2.
What are the key properties of 3-ethenyl-1,4,8-trioxaspiro[4.5]decane?
3-ethenyl-1,4,8-trioxaspiro[4.5]decane has a molecular weight of 170.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,4,8-trioxaspiro[4.5]decane is sourced from PubChem (CID 143310490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).