3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene

C14H22O2 — CID 3608643

IUPAC3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESC=CC1OCC2(CO1)C(C)C=C(C)CC2C
InChIInChI=1S/C14H22O2/c1-5-13-15-8-14(9-16-13)11(3)6-10(2)7-12(14)4/h5-6,11-13H,1,7-9H2,2-4H3
InChIKeyZVPWCBCLANWHRI-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.15
Rot. Bonds1

About 3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene

3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene (PubChem CID 3608643) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene
PubChem CID3608643
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESC=CC1OCC2(CO1)C(C)C=C(C)CC2C
InChIInChI=1S/C14H22O2/c1-5-13-15-8-14(9-16-13)11(3)6-10(2)7-12(14)4/h5-6,11-13H,1,7-9H2,2-4H3
InChIKeyZVPWCBCLANWHRI-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene?
The IUPAC name of 3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene (CID 3608643) is 3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene?
The canonical SMILES for 3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene is C=CC1OCC2(CO1)C(C)C=C(C)CC2C.
What is the InChIKey of 3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene?
The InChIKey is ZVPWCBCLANWHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-13-15-8-14(9-16-13)11(3)6-10(2)7-12(14)4/h5-6,11-13H,1,7-9H2,2-4H3.
What are the key properties of 3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene?
3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene has a molecular weight of 222.33 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 3608643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).