1,6,8-trioxaspiro[6.6]trideca-3,10-diene

C10H14O3 — CID 164838316

IUPAC1,6,8-trioxaspiro[6.6]trideca-3,10-diene
SMILESC1=CCOC2(CC1)OCC=CCO2
InChIInChI=1S/C10H14O3/c1-2-6-10(11-7-3-1)12-8-4-5-9-13-10/h1,3-5H,2,6-9H2
InChIKeyYXGSJNQAHCBRCA-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.61
Rot. Bonds

About 1,6,8-trioxaspiro[6.6]trideca-3,10-diene

1,6,8-trioxaspiro[6.6]trideca-3,10-diene (PubChem CID 164838316) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1,6,8-trioxaspiro[6.6]trideca-3,10-diene.

Molecular Properties

Compound Name1,6,8-trioxaspiro[6.6]trideca-3,10-diene
PubChem CID164838316
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1,6,8-trioxaspiro[6.6]trideca-3,10-diene
SMILESC1=CCOC2(CC1)OCC=CCO2
InChIInChI=1S/C10H14O3/c1-2-6-10(11-7-3-1)12-8-4-5-9-13-10/h1,3-5H,2,6-9H2
InChIKeyYXGSJNQAHCBRCA-UHFFFAOYSA-N
XLogP1.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.61
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

(1S,5S)-1,5-dimethyl-7-oxaspiro[5.6]dodec-9-ene
CID 125453870
(6R)-7-oxaspiro[5.6]dodec-9-en-5-one
CID 125453613
7-oxaspiro[5.6]dodec-9-en-5-one
CID 131481474
(4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene
CID 125455009
(6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine
CID 18335871
(4aR,6aS,10aR)-4a,5,6,6a,9,10-hexahydro-2H-indeno[7a,1-b]pyran
CID 101348707
(4aS,6aR,10aR)-4a,5,6,6a,9,10-hexahydro-2H-indeno[7a,1-b]pyran
CID 11171287
spiro[4.6]undeca-2,8-diene
CID 123157263
5,5-difluorocycloheptene;ethane
CID 178087768
2-methyl-2-(1-methylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134993895
spiro[4.7]dodec-9-ene
CID 173457967
(5E,12Z)-1,8-dioxacyclotetradeca-5,12-diene-2,9-dione
CID 121015196

Frequently Asked Questions

What is the IUPAC name of 1,6,8-trioxaspiro[6.6]trideca-3,10-diene?
The IUPAC name of 1,6,8-trioxaspiro[6.6]trideca-3,10-diene (CID 164838316) is 1,6,8-trioxaspiro[6.6]trideca-3,10-diene.
What is the SMILES notation for 1,6,8-trioxaspiro[6.6]trideca-3,10-diene?
The canonical SMILES for 1,6,8-trioxaspiro[6.6]trideca-3,10-diene is C1=CCOC2(CC1)OCC=CCO2.
What is the InChIKey of 1,6,8-trioxaspiro[6.6]trideca-3,10-diene?
The InChIKey is YXGSJNQAHCBRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-6-10(11-7-3-1)12-8-4-5-9-13-10/h1,3-5H,2,6-9H2.
What are the key properties of 1,6,8-trioxaspiro[6.6]trideca-3,10-diene?
1,6,8-trioxaspiro[6.6]trideca-3,10-diene has a molecular weight of 182.22 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,8-trioxaspiro[6.6]trideca-3,10-diene is sourced from PubChem (CID 164838316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).