3,7,11-trimethyltrideca-2,6,10-triene

C16H28 — CID 54049885

IUPAC3,7,11-trimethyltrideca-2,6,10-triene
SMILESCC=C(C)CCC=C(C)CCC=C(C)CC
InChIInChI=1S/C16H28/c1-6-14(3)10-8-12-16(5)13-9-11-15(4)7-2/h6,11-12H,7-10,13H2,1-5H3
InChIKeyFKTMVMQXSVIEJM-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.82
Rot. Bonds7

About 3,7,11-trimethyltrideca-2,6,10-triene

3,7,11-trimethyltrideca-2,6,10-triene (PubChem CID 54049885) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 3,7,11-trimethyltrideca-2,6,10-triene.

Molecular Properties

Compound Name3,7,11-trimethyltrideca-2,6,10-triene
PubChem CID54049885
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name3,7,11-trimethyltrideca-2,6,10-triene
SMILESCC=C(C)CCC=C(C)CCC=C(C)CC
InChIInChI=1S/C16H28/c1-6-14(3)10-8-12-16(5)13-9-11-15(4)7-2/h6,11-12H,7-10,13H2,1-5H3
InChIKeyFKTMVMQXSVIEJM-UHFFFAOYSA-N
XLogP5.82
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 ≤ 55.82
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

(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
CID 145317511
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
3,7,11-trimethylhexadeca-2,6,10-triene
CID 54031242
6,11-dimethyltrideca-2,6,10-triene
CID 139931040
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene
CID 13409854
2,6-dimethylocta-1,5-diene
CID 54025904
(E)-5-methylhept-4-enoic acid
CID 83694352

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyltrideca-2,6,10-triene?
The IUPAC name of 3,7,11-trimethyltrideca-2,6,10-triene (CID 54049885) is 3,7,11-trimethyltrideca-2,6,10-triene.
What is the SMILES notation for 3,7,11-trimethyltrideca-2,6,10-triene?
The canonical SMILES for 3,7,11-trimethyltrideca-2,6,10-triene is CC=C(C)CCC=C(C)CCC=C(C)CC.
What is the InChIKey of 3,7,11-trimethyltrideca-2,6,10-triene?
The InChIKey is FKTMVMQXSVIEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-6-14(3)10-8-12-16(5)13-9-11-15(4)7-2/h6,11-12H,7-10,13H2,1-5H3.
What are the key properties of 3,7,11-trimethyltrideca-2,6,10-triene?
3,7,11-trimethyltrideca-2,6,10-triene has a molecular weight of 220.40 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyltrideca-2,6,10-triene is sourced from PubChem (CID 54049885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).