undeca-1,2,9-triene

C11H18 — CID 140993740

IUPACundeca-1,2,9-triene
SMILESC=C=CCCCCCC=CC
InChIInChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h4-6H,1,7-11H2,2H3
InChIKeyFHWFVSLKIFDCRJ-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.85
Rot. Bonds6

About undeca-1,2,9-triene

undeca-1,2,9-triene (PubChem CID 140993740) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is undeca-1,2,9-triene.

Molecular Properties

Compound Nameundeca-1,2,9-triene
PubChem CID140993740
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Nameundeca-1,2,9-triene
SMILESC=C=CCCCCCC=CC
InChIInChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h4-6H,1,7-11H2,2H3
InChIKeyFHWFVSLKIFDCRJ-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.85
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'}

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Related Compounds

hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
docosa-1,2-diene
CID 90871698
pentacosa-1,2-diene
CID 91256364
(11Z,14Z)-octadeca-1,2,11,14-tetraene
CID 157049170
undeca-1,2,7-triene
CID 174048699
(Z)-icos-2-ene
CID 5352524
(16E)-octadeca-5,6,16-trienoic acid
CID 5312491
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
10-chlorodec-2-ene
CID 54299561
octadeca-2,10-diene
CID 54270716

Frequently Asked Questions

What is the IUPAC name of undeca-1,2,9-triene?
The IUPAC name of undeca-1,2,9-triene (CID 140993740) is undeca-1,2,9-triene.
What is the SMILES notation for undeca-1,2,9-triene?
The canonical SMILES for undeca-1,2,9-triene is C=C=CCCCCCC=CC.
What is the InChIKey of undeca-1,2,9-triene?
The InChIKey is FHWFVSLKIFDCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h4-6H,1,7-11H2,2H3.
What are the key properties of undeca-1,2,9-triene?
undeca-1,2,9-triene has a molecular weight of 150.26 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-1,2,9-triene is sourced from PubChem (CID 140993740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).