(4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene

C16H28 — CID 173229082

IUPAC(4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene
SMILESCCCC(C)CC/C=C(C)/C=C/C=C(C)C
InChIInChI=1S/C16H28/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h7,10-11,13,15H,6,8-9,12H2,1-5H3/b11-7+,16-13+
InChIKeyZSXCKEWBWSRJID-QBAPRAEESA-N
MW220.40 g/mol
LogP5.67
Rot. Bonds7

About (4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene

(4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene (PubChem CID 173229082) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is (4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene.

Molecular Properties

Compound Name(4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene
PubChem CID173229082
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name(4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene
SMILESCCCC(C)CC/C=C(C)/C=C/C=C(C)C
InChIInChI=1S/C16H28/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h7,10-11,13,15H,6,8-9,12H2,1-5H3/b11-7+,16-13+
InChIKeyZSXCKEWBWSRJID-QBAPRAEESA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,30-nonaene
CID 173080866
2,7-dimethyldec-2-ene
CID 123304905
(3Z)-2,9,13-trimethyltetradeca-3,8,10,12-tetraen-5-one
CID 87815383
3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol
CID 71372083
2,6,10-trimethyltridec-2-en-7-ol
CID 88508201
(2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene
CID 134982878
4-methylheptane
CID 11512
4-methylheptane
CID 91413347
N-(3,7-dimethyloct-6-enylsilyl)propan-1-amine
CID 173154229
(6Z,10E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,18,20,22,24,26,28-nonaene
CID 155926557
[(4E,6E,8E,12E)-4,8,13,17,21-pentamethyldocosa-4,6,8,12,20-pentaenyl] 2-bromoacetate
CID 87409381
(4Z)-6,10-dimethyldodeca-4,6-dien-1-yne
CID 144531228

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene?
The IUPAC name of (4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene (CID 173229082) is (4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene.
What is the SMILES notation for (4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene?
The canonical SMILES for (4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene is CCCC(C)CC/C=C(C)/C=C/C=C(C)C.
What is the InChIKey of (4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene?
The InChIKey is ZSXCKEWBWSRJID-QBAPRAEESA-N. The full InChI is InChI=1S/C16H28/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h7,10-11,13,15H,6,8-9,12H2,1-5H3/b11-7+,16-13+.
What are the key properties of (4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene?
(4E,6E)-2,6,10-trimethyltrideca-2,4,6-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 (4E,6E)-2,6,10-trimethyltrideca-2,4,6-triene is sourced from PubChem (CID 173229082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).