undeca-1,3-diene;undec-1-ene

C22H42 — CID 159743461

IUPACundeca-1,3-diene;undec-1-ene
SMILESC=CC=CCCCCCCC.C=CCCCCCCCCC
InChIInChI=1S/C11H22.C11H20/c2*1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3;3,5,7H,1,4,6,8-11H2,2H3
InChIKeyNCTFVICXJREURB-UHFFFAOYSA-N
MW306.58 g/mol
LogP8.40
Rot. Bonds15

About undeca-1,3-diene;undec-1-ene

undeca-1,3-diene;undec-1-ene (PubChem CID 159743461) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is undeca-1,3-diene;undec-1-ene.

Molecular Properties

Compound Nameundeca-1,3-diene;undec-1-ene
PubChem CID159743461
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Nameundeca-1,3-diene;undec-1-ene
SMILESC=CC=CCCCCCCC.C=CCCCCCCCCC
InChIInChI=1S/C11H22.C11H20/c2*1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3;3,5,7H,1,4,6,8-11H2,2H3
InChIKeyNCTFVICXJREURB-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-heptadeca-1,3,9-triene
CID 175589298
(22Z,24Z)-hentriaconta-1,22,24-triene
CID 177463593
hexadeca-1,3,8-triene
CID 174048674
nonacosa-1,7,9,21-tetraene
CID 175853197
pentacosa-1,16-diene
CID 57082437
triaconta-1,19-diene
CID 54007897
pentaconta-1,25-diene
CID 90941740
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
heptadeca-1,7-diene
CID 57204265

Frequently Asked Questions

What is the IUPAC name of undeca-1,3-diene;undec-1-ene?
The IUPAC name of undeca-1,3-diene;undec-1-ene (CID 159743461) is undeca-1,3-diene;undec-1-ene.
What is the SMILES notation for undeca-1,3-diene;undec-1-ene?
The canonical SMILES for undeca-1,3-diene;undec-1-ene is C=CC=CCCCCCCC.C=CCCCCCCCCC.
What is the InChIKey of undeca-1,3-diene;undec-1-ene?
The InChIKey is NCTFVICXJREURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C11H20/c2*1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3;3,5,7H,1,4,6,8-11H2,2H3.
What are the key properties of undeca-1,3-diene;undec-1-ene?
undeca-1,3-diene;undec-1-ene has a molecular weight of 306.58 g/mol, XLogP of 8.40, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-1,3-diene;undec-1-ene is sourced from PubChem (CID 159743461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).