1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene

C10H16O — CID 71381574

IUPAC1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene
SMILESCC12C=COC(C)(CCC1)C2
InChIInChI=1S/C10H16O/c1-9-4-3-5-10(2,8-9)11-7-6-9/h6-7H,3-5,8H2,1-2H3
InChIKeyZUPVDFWDISVYTM-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.87
Rot. Bonds

About 1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene

1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene (PubChem CID 71381574) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene.

Molecular Properties

Compound Name1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene
PubChem CID71381574
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene
SMILESCC12C=COC(C)(CCC1)C2
InChIInChI=1S/C10H16O/c1-9-4-3-5-10(2,8-9)11-7-6-9/h6-7H,3-5,8H2,1-2H3
InChIKeyZUPVDFWDISVYTM-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene?
The IUPAC name of 1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene (CID 71381574) is 1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene.
What is the SMILES notation for 1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene?
The canonical SMILES for 1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene is CC12C=COC(C)(CCC1)C2.
What is the InChIKey of 1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene?
The InChIKey is ZUPVDFWDISVYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9-4-3-5-10(2,8-9)11-7-6-9/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene?
1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene has a molecular weight of 152.24 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-oxabicyclo[3.3.1]non-3-ene is sourced from PubChem (CID 71381574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).