2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene

C10H16O2 — CID 10352081

IUPAC2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene
SMILESCC1=CCOC12CCC(C)(C)O2
InChIInChI=1S/C10H16O2/c1-8-4-7-11-10(8)6-5-9(2,3)12-10/h4H,5-7H2,1-3H3
InChIKeyASBUESIFBWKCQP-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds

About 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene

2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene (PubChem CID 10352081) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene.

Molecular Properties

Compound Name2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene
PubChem CID10352081
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene
SMILESCC1=CCOC12CCC(C)(C)O2
InChIInChI=1S/C10H16O2/c1-8-4-7-11-10(8)6-5-9(2,3)12-10/h4H,5-7H2,1-3H3
InChIKeyASBUESIFBWKCQP-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.25
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 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene?
The IUPAC name of 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene (CID 10352081) is 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene.
What is the SMILES notation for 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene?
The canonical SMILES for 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene is CC1=CCOC12CCC(C)(C)O2.
What is the InChIKey of 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene?
The InChIKey is ASBUESIFBWKCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-4-7-11-10(8)6-5-9(2,3)12-10/h4H,5-7H2,1-3H3.
What are the key properties of 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene?
2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene has a molecular weight of 168.24 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,9-trimethyl-1,6-dioxaspiro[4.4]non-8-ene is sourced from PubChem (CID 10352081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).