4-(methoxymethyl)undeca-1,5,6,10-tetraene

C13H20O — CID 12715944

IUPAC4-(methoxymethyl)undeca-1,5,6,10-tetraene
SMILESC=CCCC=C=CC(CC=C)COC
InChIInChI=1S/C13H20O/c1-4-6-7-8-9-11-13(10-5-2)12-14-3/h4-5,8,11,13H,1-2,6-7,10,12H2,3H3
InChIKeyMPAFUJZKARNMNI-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.50
Rot. Bonds8

About 4-(methoxymethyl)undeca-1,5,6,10-tetraene

4-(methoxymethyl)undeca-1,5,6,10-tetraene (PubChem CID 12715944) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-(methoxymethyl)undeca-1,5,6,10-tetraene.

Molecular Properties

Compound Name4-(methoxymethyl)undeca-1,5,6,10-tetraene
PubChem CID12715944
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-(methoxymethyl)undeca-1,5,6,10-tetraene
SMILESC=CCCC=C=CC(CC=C)COC
InChIInChI=1S/C13H20O/c1-4-6-7-8-9-11-13(10-5-2)12-14-3/h4-5,8,11,13H,1-2,6-7,10,12H2,3H3
InChIKeyMPAFUJZKARNMNI-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.50
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 4-(methoxymethyl)undeca-1,5,6,10-tetraene?
The IUPAC name of 4-(methoxymethyl)undeca-1,5,6,10-tetraene (CID 12715944) is 4-(methoxymethyl)undeca-1,5,6,10-tetraene.
What is the SMILES notation for 4-(methoxymethyl)undeca-1,5,6,10-tetraene?
The canonical SMILES for 4-(methoxymethyl)undeca-1,5,6,10-tetraene is C=CCCC=C=CC(CC=C)COC.
What is the InChIKey of 4-(methoxymethyl)undeca-1,5,6,10-tetraene?
The InChIKey is MPAFUJZKARNMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-6-7-8-9-11-13(10-5-2)12-14-3/h4-5,8,11,13H,1-2,6-7,10,12H2,3H3.
What are the key properties of 4-(methoxymethyl)undeca-1,5,6,10-tetraene?
4-(methoxymethyl)undeca-1,5,6,10-tetraene has a molecular weight of 192.30 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)undeca-1,5,6,10-tetraene is sourced from PubChem (CID 12715944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).