(5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene

C18H26 — CID 142357051

IUPAC(5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene
SMILESC=CCC/C=C/C=C/[C@H](CC=C)C(C=C)CC=C
InChIInChI=1S/C18H26/c1-5-9-10-11-12-13-16-18(15-7-3)17(8-4)14-6-2/h5-8,11-13,16-18H,1-4,9-10,14-15H2/b12-11+,16-13+/t17?,18-/m0/s1
InChIKeyLZMKELKTXAVHJW-MIABLFBMSA-N
MW242.41 g/mol
LogP5.64
Rot. Bonds11

About (5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene

(5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene (PubChem CID 142357051) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is (5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene.

Molecular Properties

Compound Name(5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene
PubChem CID142357051
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name(5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene
SMILESC=CCC/C=C/C=C/[C@H](CC=C)C(C=C)CC=C
InChIInChI=1S/C18H26/c1-5-9-10-11-12-13-16-18(15-7-3)17(8-4)14-6-2/h5-8,11-13,16-18H,1-4,9-10,14-15H2/b12-11+,16-13+/t17?,18-/m0/s1
InChIKeyLZMKELKTXAVHJW-MIABLFBMSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.64
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

8-methylnona-1,5-diene
CID 54303226
(5E)-deca-1,5,9-triene
CID 5362636
tetradeca-1,5,7-triene
CID 174048281
(3E,5E)-tetradeca-3,5,13-trien-2-amine
CID 14864063
8-methylnona-1,5-diene;2-methylprop-1-ene
CID 173298827
(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
CID 166830456
(5Z,7E)-8-chloronona-1,5,7-triene
CID 142147168
(1E)-1-methylsulfanylhexa-1,5-diene
CID 101001701
9-methylundeca-1,3,7,10-tetraene
CID 154197788
7-methyldeca-1,5-diene
CID 123987303
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
(5E)-nona-1,5-diene
CID 6429608

Frequently Asked Questions

What is the IUPAC name of (5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene?
The IUPAC name of (5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene (CID 142357051) is (5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene.
What is the SMILES notation for (5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene?
The canonical SMILES for (5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene is C=CCC/C=C/C=C/[C@H](CC=C)C(C=C)CC=C.
What is the InChIKey of (5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene?
The InChIKey is LZMKELKTXAVHJW-MIABLFBMSA-N. The full InChI is InChI=1S/C18H26/c1-5-9-10-11-12-13-16-18(15-7-3)17(8-4)14-6-2/h5-8,11-13,16-18H,1-4,9-10,14-15H2/b12-11+,16-13+/t17?,18-/m0/s1.
What are the key properties of (5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene?
(5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene has a molecular weight of 242.41 g/mol, XLogP of 5.64, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,9S)-10-ethenyl-9-prop-2-enyltrideca-1,5,7,12-tetraene is sourced from PubChem (CID 142357051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).