(10S)-2,6,10-trimethyltrideca-2,6,11-triene

C16H28 — CID 57030104

IUPAC(10S)-2,6,10-trimethyltrideca-2,6,11-triene
SMILESCC=C[C@@H](C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C16H28/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13,15H,7-8,11-12H2,1-5H3/t15-/m1/s1
InChIKeyNNHFHQAQBDIODG-OAHLLOKOSA-N
MW220.40 g/mol
LogP5.67
Rot. Bonds7

About (10S)-2,6,10-trimethyltrideca-2,6,11-triene

(10S)-2,6,10-trimethyltrideca-2,6,11-triene (PubChem CID 57030104) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is (10S)-2,6,10-trimethyltrideca-2,6,11-triene.

Molecular Properties

Compound Name(10S)-2,6,10-trimethyltrideca-2,6,11-triene
PubChem CID57030104
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name(10S)-2,6,10-trimethyltrideca-2,6,11-triene
SMILESCC=C[C@@H](C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C16H28/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13,15H,7-8,11-12H2,1-5H3/t15-/m1/s1
InChIKeyNNHFHQAQBDIODG-OAHLLOKOSA-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'}

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Related Compounds

(6E,11E)-2,6,10-trimethyltrideca-2,6,11-triene
CID 148658393
(11Z)-6,10-dimethyltrideca-2,6,11-triene
CID 91509510
(3E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-one
CID 91460202
(6E,11E,18E)-2,6,10,19,23-pentamethyl-15-methylidenetetracosa-2,6,11,18,22-pentaene
CID 162475328
(3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine
CID 123394667
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
CID 165013974
(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

Frequently Asked Questions

What is the IUPAC name of (10S)-2,6,10-trimethyltrideca-2,6,11-triene?
The IUPAC name of (10S)-2,6,10-trimethyltrideca-2,6,11-triene (CID 57030104) is (10S)-2,6,10-trimethyltrideca-2,6,11-triene.
What is the SMILES notation for (10S)-2,6,10-trimethyltrideca-2,6,11-triene?
The canonical SMILES for (10S)-2,6,10-trimethyltrideca-2,6,11-triene is CC=C[C@@H](C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of (10S)-2,6,10-trimethyltrideca-2,6,11-triene?
The InChIKey is NNHFHQAQBDIODG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H28/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13,15H,7-8,11-12H2,1-5H3/t15-/m1/s1.
What are the key properties of (10S)-2,6,10-trimethyltrideca-2,6,11-triene?
(10S)-2,6,10-trimethyltrideca-2,6,11-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 (10S)-2,6,10-trimethyltrideca-2,6,11-triene is sourced from PubChem (CID 57030104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).