4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene

C10H16O2 — CID 12971958

IUPAC4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene
SMILESCC1=CC2OC(CC1)C(C)(C)O2
InChIInChI=1S/C10H16O2/c1-7-4-5-8-10(2,3)12-9(6-7)11-8/h6,8-9H,4-5H2,1-3H3
InChIKeyAGRDGIRWBGEBDV-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds

About 4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene

4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene (PubChem CID 12971958) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene.

Molecular Properties

Compound Name4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene
PubChem CID12971958
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene
SMILESCC1=CC2OC(CC1)C(C)(C)O2
InChIInChI=1S/C10H16O2/c1-7-4-5-8-10(2,3)12-9(6-7)11-8/h6,8-9H,4-5H2,1-3H3
InChIKeyAGRDGIRWBGEBDV-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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Related Compounds

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2-Penten-1-ol, 3-methyl-5-((4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-, 1-acetate, (2E)-
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2-[(E)-2,6-dimethylhept-1-enyl]-1,3-dioxolane
CID 89208750
(3aS,7aR)-2-[(E)-2,6-dimethylhept-1-enyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
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2-[(E)-2,6-dimethylhept-1-enyl]-4,5-dimethyl-1,3-dioxolane
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Frequently Asked Questions

What is the IUPAC name of 4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene?
The IUPAC name of 4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene (CID 12971958) is 4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene.
What is the SMILES notation for 4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene?
The canonical SMILES for 4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene is CC1=CC2OC(CC1)C(C)(C)O2.
What is the InChIKey of 4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene?
The InChIKey is AGRDGIRWBGEBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-4-5-8-10(2,3)12-9(6-7)11-8/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene?
4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-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 4,8,8-trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene is sourced from PubChem (CID 12971958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).