7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene

C10H16O2 — CID 13429331

IUPAC7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene
SMILESCCC1OC2OC1C(C)C=C2C
InChIInChI=1S/C10H16O2/c1-4-8-9-6(2)5-7(3)10(11-8)12-9/h5-6,8-10H,4H2,1-3H3
InChIKeyKEYVGBXKVKYKGT-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.10
Rot. Bonds1

About 7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene

7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene (PubChem CID 13429331) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene.

Molecular Properties

Compound Name7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene
PubChem CID13429331
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene
SMILESCCC1OC2OC1C(C)C=C2C
InChIInChI=1S/C10H16O2/c1-4-8-9-6(2)5-7(3)10(11-8)12-9/h5-6,8-10H,4H2,1-3H3
InChIKeyKEYVGBXKVKYKGT-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.10
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

Geranial propylene glycol acetal
CID 5338463
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl)-4-methyl-
CID 61519
Perillaldehyde propyleneglycol acetal
CID 71587448
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,5-dimethyl-
CID 5980986
(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-6-[[(2S,3R,6R)-2-[(1S)-1-methoxyprop-2-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-yl]oxy]-3,5-dimethyl-3,6-dihydro-2H-pyran
CID 89379571
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane
CID 5356479
1,3-Dioxolane, 2-(3-cyclohexen-1-yl)-4-[(2-propenyloxy)methyl]-
CID 247391
4,8,8-Trimethyl-7,9-dioxabicyclo[4.2.1]non-4-ene
CID 12971958
4-[(E)-2-cyclohexylethenyl]-2,2-dimethyl-1,3-dioxolane
CID 13440554
2-[(1E)-3,7-dimethylocta-1,6-dienyl]-1,3-dioxolane
CID 24881903
7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 131852235
lithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran
CID 135037587

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene?
The IUPAC name of 7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene (CID 13429331) is 7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene.
What is the SMILES notation for 7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene?
The canonical SMILES for 7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene is CCC1OC2OC1C(C)C=C2C.
What is the InChIKey of 7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene?
The InChIKey is KEYVGBXKVKYKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-8-9-6(2)5-7(3)10(11-8)12-9/h5-6,8-10H,4H2,1-3H3.
What are the key properties of 7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene?
7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene has a molecular weight of 168.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-ene is sourced from PubChem (CID 13429331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).