9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene

C17H30 — CID 123703093

IUPAC9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene
SMILESCC=C(C)C(CC)CC=C(C)CCC=C(C)C
InChIInChI=1S/C17H30/c1-7-16(6)17(8-2)13-12-15(5)11-9-10-14(3)4/h7,10,12,17H,8-9,11,13H2,1-6H3
InChIKeyFCADISFTNVVLPU-UHFFFAOYSA-N
MW234.43 g/mol
LogP6.06
Rot. Bonds7

About 9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene

9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene (PubChem CID 123703093) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene.

Molecular Properties

Compound Name9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene
PubChem CID123703093
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene
SMILESCC=C(C)C(CC)CC=C(C)CCC=C(C)C
InChIInChI=1S/C17H30/c1-7-16(6)17(8-2)13-12-15(5)11-9-10-14(3)4/h7,10,12,17H,8-9,11,13H2,1-6H3
InChIKeyFCADISFTNVVLPU-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5E)-6,10-dimethylundeca-5,9-dien-3-amine
CID 170888547
(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 6476245
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol
CID 72753022
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene?
The IUPAC name of 9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene (CID 123703093) is 9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene.
What is the SMILES notation for 9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene?
The canonical SMILES for 9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene is CC=C(C)C(CC)CC=C(C)CCC=C(C)C.
What is the InChIKey of 9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene?
The InChIKey is FCADISFTNVVLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-7-16(6)17(8-2)13-12-15(5)11-9-10-14(3)4/h7,10,12,17H,8-9,11,13H2,1-6H3.
What are the key properties of 9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene?
9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene has a molecular weight of 234.43 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene is sourced from PubChem (CID 123703093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).