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

C12H20O2 — CID 5142980

IUPAC7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CC(C)C2(COCOC2)C(C)C1
InChIInChI=1S/C12H20O2/c1-9-4-10(2)12(11(3)5-9)6-13-8-14-7-12/h4,10-11H,5-8H2,1-3H3
InChIKeyJYDWOSCGQPCWRO-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.60
Rot. Bonds

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

7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene (PubChem CID 5142980) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene
PubChem CID5142980
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CC(C)C2(COCOC2)C(C)C1
InChIInChI=1S/C12H20O2/c1-9-4-10(2)12(11(3)5-9)6-13-8-14-7-12/h4,10-11H,5-8H2,1-3H3
InChIKeyJYDWOSCGQPCWRO-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.60
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 7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene?
The IUPAC name of 7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene (CID 5142980) is 7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene?
The canonical SMILES for 7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene is CC1=CC(C)C2(COCOC2)C(C)C1.
What is the InChIKey of 7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene?
The InChIKey is JYDWOSCGQPCWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-4-10(2)12(11(3)5-9)6-13-8-14-7-12/h4,10-11H,5-8H2,1-3H3.
What are the key properties of 7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene?
7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene has a molecular weight of 196.29 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 5142980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).