11-ethoxyundeca-1,3-diene

C13H24O — CID 90984480

IUPAC11-ethoxyundeca-1,3-diene
SMILESC=CC=CCCCCCCCOCC
InChIInChI=1S/C13H24O/c1-3-5-6-7-8-9-10-11-12-13-14-4-2/h3,5-6H,1,4,7-13H2,2H3
InChIKeyDLMWGCXFNUNQNG-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.11
Rot. Bonds10

About 11-ethoxyundeca-1,3-diene

11-ethoxyundeca-1,3-diene (PubChem CID 90984480) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 11-ethoxyundeca-1,3-diene.

Molecular Properties

Compound Name11-ethoxyundeca-1,3-diene
PubChem CID90984480
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name11-ethoxyundeca-1,3-diene
SMILESC=CC=CCCCCCCCOCC
InChIInChI=1S/C13H24O/c1-3-5-6-7-8-9-10-11-12-13-14-4-2/h3,5-6H,1,4,7-13H2,2H3
InChIKeyDLMWGCXFNUNQNG-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-ethoxypentadec-7-ene
CID 87516958
(E)-18-ethoxyoctadec-3-ene
CID 6437683
(Z)-1-ethoxynonadec-9-ene
CID 87517612
(Z)-13-ethoxytridec-5-ene
CID 87205027
15-ethoxypentadec-7-ene
CID 91170991
8-ethoxyoct-2-ene
CID 91178347
11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592
heptadeca-1,3,14-triene
CID 54251685
pentadeca-1,3,12-triene
CID 174048351
(3Z)-heptadeca-1,3,9-triene
CID 175589298
bis((3E)-octa-1,3-diene);ruthenium
CID 173228817

Frequently Asked Questions

What is the IUPAC name of 11-ethoxyundeca-1,3-diene?
The IUPAC name of 11-ethoxyundeca-1,3-diene (CID 90984480) is 11-ethoxyundeca-1,3-diene.
What is the SMILES notation for 11-ethoxyundeca-1,3-diene?
The canonical SMILES for 11-ethoxyundeca-1,3-diene is C=CC=CCCCCCCCOCC.
What is the InChIKey of 11-ethoxyundeca-1,3-diene?
The InChIKey is DLMWGCXFNUNQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-5-6-7-8-9-10-11-12-13-14-4-2/h3,5-6H,1,4,7-13H2,2H3.
What are the key properties of 11-ethoxyundeca-1,3-diene?
11-ethoxyundeca-1,3-diene has a molecular weight of 196.33 g/mol, XLogP of 4.11, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethoxyundeca-1,3-diene is sourced from PubChem (CID 90984480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).