1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene

C15H24O2 — CID 10014355

IUPAC1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
SMILESCC(C)=CCCC(C)C12C=CC(C)(CC1)OO2
InChIInChI=1S/C15H24O2/c1-12(2)6-5-7-13(3)15-10-8-14(4,9-11-15)16-17-15/h6,8,10,13H,5,7,9,11H2,1-4H3
InChIKeyLQQPBZXRTDBTDG-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.18
Rot. Bonds4

About 1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene

1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene (PubChem CID 10014355) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene.

Molecular Properties

Compound Name1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
PubChem CID10014355
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
SMILESCC(C)=CCCC(C)C12C=CC(C)(CC1)OO2
InChIInChI=1S/C15H24O2/c1-12(2)6-5-7-13(3)15-10-8-14(4,9-11-15)16-17-15/h6,8,10,13H,5,7,9,11H2,1-4H3
InChIKeyLQQPBZXRTDBTDG-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene?
The IUPAC name of 1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene (CID 10014355) is 1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene.
What is the SMILES notation for 1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene?
The canonical SMILES for 1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene is CC(C)=CCCC(C)C12C=CC(C)(CC1)OO2.
What is the InChIKey of 1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene?
The InChIKey is LQQPBZXRTDBTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)6-5-7-13(3)15-10-8-14(4,9-11-15)16-17-15/h6,8,10,13H,5,7,9,11H2,1-4H3.
What are the key properties of 1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene?
1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene has a molecular weight of 236.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene is sourced from PubChem (CID 10014355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).