2,9-dioxaspiro[6.6]trideca-4,11-diene

C11H16O2 — CID 86214882

IUPAC2,9-dioxaspiro[6.6]trideca-4,11-diene
SMILESC1=CCC2(CC=CCOC2)COC1
InChIInChI=1S/C11H16O2/c1-3-7-12-9-11(5-1)6-2-4-8-13-10-11/h1-4H,5-10H2
InChIKeyFBXQWYZQHZDVEM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.93
Rot. Bonds

About 2,9-dioxaspiro[6.6]trideca-4,11-diene

2,9-dioxaspiro[6.6]trideca-4,11-diene (PubChem CID 86214882) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,9-dioxaspiro[6.6]trideca-4,11-diene.

Molecular Properties

Compound Name2,9-dioxaspiro[6.6]trideca-4,11-diene
PubChem CID86214882
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2,9-dioxaspiro[6.6]trideca-4,11-diene
SMILESC1=CCC2(CC=CCOC2)COC1
InChIInChI=1S/C11H16O2/c1-3-7-12-9-11(5-1)6-2-4-8-13-10-11/h1-4H,5-10H2
InChIKeyFBXQWYZQHZDVEM-UHFFFAOYSA-N
XLogP1.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 177495943
3-Ethyl-3-(octa-2,7-dienoxymethyl)oxetane
CID 54419268
3-ethyl-3-[[(2E)-octa-2,7-dienoxy]methyl]oxetane
CID 67789044
4,4-Bis(prop-2-enoxymethyl)cyclohexene
CID 139896288
2-[2-(2,5-Dihydrofuran-2-yl)propan-2-yl]-2,5-dihydrofuran
CID 173662677
4,4-Bis(prop-2-enoxymethyl)hepta-1,6-diene
CID 86214872
4,4-Bis(prop-2-enoxymethyl)cyclopentene
CID 86214873
4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene
CID 101200824
(2Z)-1-Methoxy-5,5-bis(methoxymethyl)-2-nonen-7-yne
CID 102151055
(E)-1-methoxy-5,5-bis(methoxymethyl)non-2-en-7-yne
CID 102214139

Frequently Asked Questions

What is the IUPAC name of 2,9-dioxaspiro[6.6]trideca-4,11-diene?
The IUPAC name of 2,9-dioxaspiro[6.6]trideca-4,11-diene (CID 86214882) is 2,9-dioxaspiro[6.6]trideca-4,11-diene.
What is the SMILES notation for 2,9-dioxaspiro[6.6]trideca-4,11-diene?
The canonical SMILES for 2,9-dioxaspiro[6.6]trideca-4,11-diene is C1=CCC2(CC=CCOC2)COC1.
What is the InChIKey of 2,9-dioxaspiro[6.6]trideca-4,11-diene?
The InChIKey is FBXQWYZQHZDVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-7-12-9-11(5-1)6-2-4-8-13-10-11/h1-4H,5-10H2.
What are the key properties of 2,9-dioxaspiro[6.6]trideca-4,11-diene?
2,9-dioxaspiro[6.6]trideca-4,11-diene has a molecular weight of 180.25 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dioxaspiro[6.6]trideca-4,11-diene is sourced from PubChem (CID 86214882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).