12,12-dimethyltrideca-1,6,10-triene

C15H26 — CID 144926116

IUPAC12,12-dimethyltrideca-1,6,10-triene
SMILESC=CCCCC=CCCC=CC(C)(C)C
InChIInChI=1S/C15H26/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4/h5,9-10,13-14H,1,6-8,11-12H2,2-4H3
InChIKeyLOLFQKFPIMTXJT-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.28
Rot. Bonds7

About 12,12-dimethyltrideca-1,6,10-triene

12,12-dimethyltrideca-1,6,10-triene (PubChem CID 144926116) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 12,12-dimethyltrideca-1,6,10-triene.

Molecular Properties

Compound Name12,12-dimethyltrideca-1,6,10-triene
PubChem CID144926116
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name12,12-dimethyltrideca-1,6,10-triene
SMILESC=CCCCC=CCCC=CC(C)(C)C
InChIInChI=1S/C15H26/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4/h5,9-10,13-14H,1,6-8,11-12H2,2-4H3
InChIKeyLOLFQKFPIMTXJT-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.28
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

dodeca-1,6,11-triene
CID 548864
(6E,10Z)-hexadeca-1,6,10-triene
CID 5365621
(2E)-N-tert-butylocta-2,7-dien-1-amine
CID 6002531
hexadeca-1,7,11-triene
CID 174048514
heptahexaconta-1,23,66-triene
CID 57275880
icosa-1,9,19-triene
CID 57001912
(Z)-dec-5-ene;hex-1-ene
CID 141304086
(6E,13E)-heptadeca-1,6,13-triene
CID 122203788
(5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene
CID 88672881
tricosa-1,6-diene
CID 175196703
13,13-dimethyltetradeca-3,7,11-trienamide
CID 154015526
trimethyl-[(2E)-octa-2,7-dienoxy]silane
CID 22620662

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyltrideca-1,6,10-triene?
The IUPAC name of 12,12-dimethyltrideca-1,6,10-triene (CID 144926116) is 12,12-dimethyltrideca-1,6,10-triene.
What is the SMILES notation for 12,12-dimethyltrideca-1,6,10-triene?
The canonical SMILES for 12,12-dimethyltrideca-1,6,10-triene is C=CCCCC=CCCC=CC(C)(C)C.
What is the InChIKey of 12,12-dimethyltrideca-1,6,10-triene?
The InChIKey is LOLFQKFPIMTXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4/h5,9-10,13-14H,1,6-8,11-12H2,2-4H3.
What are the key properties of 12,12-dimethyltrideca-1,6,10-triene?
12,12-dimethyltrideca-1,6,10-triene has a molecular weight of 206.37 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyltrideca-1,6,10-triene is sourced from PubChem (CID 144926116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).