7-(methoxymethyl)undeca-1,5,9-triene

C13H22O — CID 54345334

IUPAC7-(methoxymethyl)undeca-1,5,9-triene
SMILESC=CCCC=CC(CC=CC)COC
InChIInChI=1S/C13H22O/c1-4-6-8-9-11-13(12-14-3)10-7-5-2/h4-5,7,9,11,13H,1,6,8,10,12H2,2-3H3
InChIKeyUBXSSEUDIZROMW-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.74
Rot. Bonds8

About 7-(methoxymethyl)undeca-1,5,9-triene

7-(methoxymethyl)undeca-1,5,9-triene (PubChem CID 54345334) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 7-(methoxymethyl)undeca-1,5,9-triene.

Molecular Properties

Compound Name7-(methoxymethyl)undeca-1,5,9-triene
PubChem CID54345334
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name7-(methoxymethyl)undeca-1,5,9-triene
SMILESC=CCCC=CC(CC=CC)COC
InChIInChI=1S/C13H22O/c1-4-6-8-9-11-13(12-14-3)10-7-5-2/h4-5,7,9,11,13H,1,6,8,10,12H2,2-3H3
InChIKeyUBXSSEUDIZROMW-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)undeca-1,5,9-triene?
The IUPAC name of 7-(methoxymethyl)undeca-1,5,9-triene (CID 54345334) is 7-(methoxymethyl)undeca-1,5,9-triene.
What is the SMILES notation for 7-(methoxymethyl)undeca-1,5,9-triene?
The canonical SMILES for 7-(methoxymethyl)undeca-1,5,9-triene is C=CCCC=CC(CC=CC)COC.
What is the InChIKey of 7-(methoxymethyl)undeca-1,5,9-triene?
The InChIKey is UBXSSEUDIZROMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-4-6-8-9-11-13(12-14-3)10-7-5-2/h4-5,7,9,11,13H,1,6,8,10,12H2,2-3H3.
What are the key properties of 7-(methoxymethyl)undeca-1,5,9-triene?
7-(methoxymethyl)undeca-1,5,9-triene has a molecular weight of 194.32 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)undeca-1,5,9-triene is sourced from PubChem (CID 54345334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).