(2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene

C16H26 — CID 11521394

IUPAC(2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene
SMILESC/C=C/C=C=C(CCCC)/C(=C/CC)CC
InChIInChI=1S/C16H26/c1-5-9-11-14-16(13-10-6-2)15(8-4)12-7-3/h5,9,11-12H,6-8,10,13H2,1-4H3/b9-5+,15-12+
InChIKeyQYTAWRLFAYKBIZ-KJCDSFJNSA-N
MW218.38 g/mol
LogP5.58
Rot. Bonds7

About (2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene

(2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene (PubChem CID 11521394) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene.

Molecular Properties

Compound Name(2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene
PubChem CID11521394
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene
SMILESC/C=C/C=C=C(CCCC)/C(=C/CC)CC
InChIInChI=1S/C16H26/c1-5-9-11-14-16(13-10-6-2)15(8-4)12-7-3/h5,9,11-12H,6-8,10,13H2,1-4H3/b9-5+,15-12+
InChIKeyQYTAWRLFAYKBIZ-KJCDSFJNSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Lycopene
CID 446925
Farnesene
CID 5281516
Phytoene
CID 5280784
All-Trans-Phytofluene
CID 6436722
xi-Carotene
CID 5280788
Neurosporene
CID 5280789
(Z,E)-alpha-Farnesene
CID 5362889
(3E)-4,8-dimethyl-1,3,7-nonatriene
CID 6427110
(E,E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene
CID 6443227
15-cis-Phytoene
CID 9963391
alpha-Ocimene
CID 5320249
15,9'-Di-cis-phytofluene
CID 51351778

Frequently Asked Questions

What is the IUPAC name of (2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene?
The IUPAC name of (2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene (CID 11521394) is (2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene.
What is the SMILES notation for (2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene?
The canonical SMILES for (2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene is C/C=C/C=C=C(CCCC)/C(=C/CC)CC.
What is the InChIKey of (2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene?
The InChIKey is QYTAWRLFAYKBIZ-KJCDSFJNSA-N. The full InChI is InChI=1S/C16H26/c1-5-9-11-14-16(13-10-6-2)15(8-4)12-7-3/h5,9,11-12H,6-8,10,13H2,1-4H3/b9-5+,15-12+.
What are the key properties of (2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene?
(2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene has a molecular weight of 218.38 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7E)-6-butyl-7-ethyldeca-2,4,5,7-tetraene is sourced from PubChem (CID 11521394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).