8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene

C11H14O2 — CID 86086253

IUPAC8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC=C=CC1=CCC2(CC1)OCCO2
InChIInChI=1S/C11H14O2/c1-2-3-10-4-6-11(7-5-10)12-8-9-13-11/h3-4H,1,5-9H2
InChIKeyBDQKIYGJOVVROY-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.18
Rot. Bonds1

About 8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene

8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 86086253) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID86086253
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC=C=CC1=CCC2(CC1)OCCO2
InChIInChI=1S/C11H14O2/c1-2-3-10-4-6-11(7-5-10)12-8-9-13-11/h3-4H,1,5-9H2
InChIKeyBDQKIYGJOVVROY-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 14753677
1,4-dioxaspiro[4.5]dec-7-ene-8-thiol
CID 141171889
8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13213608
8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 71344896
ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 144926160
8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 90858366
4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde
CID 130331777
ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 91004379
1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)piperidine
CID 11287514
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzonitrile
CID 21187680
N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide
CID 162735187
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide
CID 163629049

Frequently Asked Questions

What is the IUPAC name of 8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 86086253) is 8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene is C=C=CC1=CCC2(CC1)OCCO2.
What is the InChIKey of 8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is BDQKIYGJOVVROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-3-10-4-6-11(7-5-10)12-8-9-13-11/h3-4H,1,5-9H2.
What are the key properties of 8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene?
8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 178.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 86086253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).