8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene

C12H16O — CID 86186354

IUPAC8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene
SMILESC=CC1=C(C)C2(CC2)C(=C)COC1
InChIInChI=1S/C12H16O/c1-4-11-8-13-7-9(2)12(5-6-12)10(11)3/h4H,1-2,5-8H2,3H3
InChIKeyQYMPNLCDKMQWMJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.86
Rot. Bonds1

About 8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene

8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene (PubChem CID 86186354) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene.

Molecular Properties

Compound Name8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene
PubChem CID86186354
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene
SMILESC=CC1=C(C)C2(CC2)C(=C)COC1
InChIInChI=1S/C12H16O/c1-4-11-8-13-7-9(2)12(5-6-12)10(11)3/h4H,1-2,5-8H2,3H3
InChIKeyQYMPNLCDKMQWMJ-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 144601796
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1-[1-(Methoxymethyl)cyclopropyl]-4-methylcyclohepta-1,3,5-triene
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CID 170602007
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CID 11744978

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene?
The IUPAC name of 8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene (CID 86186354) is 8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene.
What is the SMILES notation for 8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene?
The canonical SMILES for 8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene is C=CC1=C(C)C2(CC2)C(=C)COC1.
What is the InChIKey of 8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene?
The InChIKey is QYMPNLCDKMQWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-4-11-8-13-7-9(2)12(5-6-12)10(11)3/h4H,1-2,5-8H2,3H3.
What are the key properties of 8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene?
8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene has a molecular weight of 176.26 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene is sourced from PubChem (CID 86186354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).