(2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene

C16H28 — CID 134982878

IUPAC(2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene
SMILESC/C=C(C)/C=C/CC[C@H](C)CCC=C(C)C
InChIInChI=1S/C16H28/c1-6-15(4)11-7-8-12-16(5)13-9-10-14(2)3/h6-7,10-11,16H,8-9,12-13H2,1-5H3/b11-7+,15-6+/t16-/m0/s1
InChIKeyVREQZWAQVKYCFI-BIZIOZEUSA-N
MW220.40 g/mol
LogP5.67
Rot. Bonds7

About (2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene

(2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene (PubChem CID 134982878) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is (2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene.

Molecular Properties

Compound Name(2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene
PubChem CID134982878
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name(2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene
SMILESC/C=C(C)/C=C/CC[C@H](C)CCC=C(C)C
InChIInChI=1S/C16H28/c1-6-15(4)11-7-8-12-16(5)13-9-10-14(2)3/h6-7,10-11,16H,8-9,12-13H2,1-5H3/b11-7+,15-6+/t16-/m0/s1
InChIKeyVREQZWAQVKYCFI-BIZIOZEUSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 173125400
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Frequently Asked Questions

What is the IUPAC name of (2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene?
The IUPAC name of (2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene (CID 134982878) is (2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene.
What is the SMILES notation for (2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene?
The canonical SMILES for (2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene is C/C=C(C)/C=C/CC[C@H](C)CCC=C(C)C.
What is the InChIKey of (2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene?
The InChIKey is VREQZWAQVKYCFI-BIZIOZEUSA-N. The full InChI is InChI=1S/C16H28/c1-6-15(4)11-7-8-12-16(5)13-9-10-14(2)3/h6-7,10-11,16H,8-9,12-13H2,1-5H3/b11-7+,15-6+/t16-/m0/s1.
What are the key properties of (2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene?
(2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene has a molecular weight of 220.40 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene is sourced from PubChem (CID 134982878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).