11-methyltrideca-1,11-diene

C14H26 — CID 139774754

IUPAC11-methyltrideca-1,11-diene
SMILESC=CCCCCCCCCC(C)=CC
InChIInChI=1S/C14H26/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h4-5H,1,6-13H2,2-3H3
InChIKeyWDUQOJGZPOSVFP-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.26
Rot. Bonds9

About 11-methyltrideca-1,11-diene

11-methyltrideca-1,11-diene (PubChem CID 139774754) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 11-methyltrideca-1,11-diene.

Molecular Properties

Compound Name11-methyltrideca-1,11-diene
PubChem CID139774754
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name11-methyltrideca-1,11-diene
SMILESC=CCCCCCCCCC(C)=CC
InChIInChI=1S/C14H26/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h4-5H,1,6-13H2,2-3H3
InChIKeyWDUQOJGZPOSVFP-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.26
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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Frequently Asked Questions

What is the IUPAC name of 11-methyltrideca-1,11-diene?
The IUPAC name of 11-methyltrideca-1,11-diene (CID 139774754) is 11-methyltrideca-1,11-diene.
What is the SMILES notation for 11-methyltrideca-1,11-diene?
The canonical SMILES for 11-methyltrideca-1,11-diene is C=CCCCCCCCCC(C)=CC.
What is the InChIKey of 11-methyltrideca-1,11-diene?
The InChIKey is WDUQOJGZPOSVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h4-5H,1,6-13H2,2-3H3.
What are the key properties of 11-methyltrideca-1,11-diene?
11-methyltrideca-1,11-diene has a molecular weight of 194.36 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyltrideca-1,11-diene is sourced from PubChem (CID 139774754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).