3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene

C13H22O2 — CID 101158332

IUPAC3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene
SMILESC=CC(CCC(C)(C=C)C=C)OCOC
InChIInChI=1S/C13H22O2/c1-6-12(15-11-14-5)9-10-13(4,7-2)8-3/h6-8,12H,1-3,9-11H2,4-5H3
InChIKeyWUBGYWMKJKTOON-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds9

About 3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene

3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene (PubChem CID 101158332) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene.

Molecular Properties

Compound Name3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene
PubChem CID101158332
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene
SMILESC=CC(CCC(C)(C=C)C=C)OCOC
InChIInChI=1S/C13H22O2/c1-6-12(15-11-14-5)9-10-13(4,7-2)8-3/h6-8,12H,1-3,9-11H2,4-5H3
InChIKeyWUBGYWMKJKTOON-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene?
The IUPAC name of 3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene (CID 101158332) is 3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene.
What is the SMILES notation for 3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene?
The canonical SMILES for 3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene is C=CC(CCC(C)(C=C)C=C)OCOC.
What is the InChIKey of 3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene?
The InChIKey is WUBGYWMKJKTOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-6-12(15-11-14-5)9-10-13(4,7-2)8-3/h6-8,12H,1-3,9-11H2,4-5H3.
What are the key properties of 3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene?
3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene has a molecular weight of 210.32 g/mol, XLogP of 3.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-(methoxymethoxy)-3-methylocta-1,7-diene is sourced from PubChem (CID 101158332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).