tetradeca-1,3,9,12-tetraene

C14H22 — CID 174407710

IUPACtetradeca-1,3,9,12-tetraene
SMILESC=CC=CCCCCC=CCC=CC
InChIInChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-7,10,12H,1,8-9,11,13-14H2,2H3
InChIKeyAPYYPPFDVDYANH-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.81
Rot. Bonds8

About tetradeca-1,3,9,12-tetraene

tetradeca-1,3,9,12-tetraene (PubChem CID 174407710) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is tetradeca-1,3,9,12-tetraene.

Molecular Properties

Compound Nametetradeca-1,3,9,12-tetraene
PubChem CID174407710
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Nametetradeca-1,3,9,12-tetraene
SMILESC=CC=CCCCCC=CCC=CC
InChIInChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-7,10,12H,1,8-9,11,13-14H2,2H3
InChIKeyAPYYPPFDVDYANH-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.81
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

(3E,6E,10E)-dodeca-1,3,6,10-tetraene
CID 22236753
ethane;methane;(3Z,6Z)-octa-1,3,6-triene
CID 144530940
dodeca-1,4,10-triene
CID 174048310
pentadeca-1,3,12-triene
CID 174048351
(3Z)-heptadeca-1,3,9-triene
CID 175589298
trideca-1,4,11-triene
CID 172759150
heptadeca-1,3,14-triene
CID 54251685
nonadeca-10,13,16,18-tetraen-1-ol
CID 85304440
(6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one
CID 22957036
(3Z,5Z,8E)-deca-1,3,5,8-tetraene
CID 143634043
(3E,5E,8E)-deca-1,3,5,8-tetraene
CID 57189685
(2E,5E)-deca-2,5-diene
CID 6429648

Frequently Asked Questions

What is the IUPAC name of tetradeca-1,3,9,12-tetraene?
The IUPAC name of tetradeca-1,3,9,12-tetraene (CID 174407710) is tetradeca-1,3,9,12-tetraene.
What is the SMILES notation for tetradeca-1,3,9,12-tetraene?
The canonical SMILES for tetradeca-1,3,9,12-tetraene is C=CC=CCCCCC=CCC=CC.
What is the InChIKey of tetradeca-1,3,9,12-tetraene?
The InChIKey is APYYPPFDVDYANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-7,10,12H,1,8-9,11,13-14H2,2H3.
What are the key properties of tetradeca-1,3,9,12-tetraene?
tetradeca-1,3,9,12-tetraene has a molecular weight of 190.33 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-1,3,9,12-tetraene is sourced from PubChem (CID 174407710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).