pentadeca-3,6,9,12-tetraene

C15H24 — CID 123748490

IUPACpentadeca-3,6,9,12-tetraene
SMILESCCC=CCC=CCC=CCC=CCC
InChIInChI=1S/C15H24/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyYUUWKTGSQCHBME-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.20
Rot. Bonds8

About pentadeca-3,6,9,12-tetraene

pentadeca-3,6,9,12-tetraene (PubChem CID 123748490) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is pentadeca-3,6,9,12-tetraene.

Molecular Properties

Compound Namepentadeca-3,6,9,12-tetraene
PubChem CID123748490
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Namepentadeca-3,6,9,12-tetraene
SMILESCCC=CCC=CCC=CCC=CCC
InChIInChI=1S/C15H24/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyYUUWKTGSQCHBME-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.20
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

henicosa-3,6,9,12,15,18-hexaenal
CID 123986237
(3Z,6Z)-nona-3,6-dienal
CID 5352808
(2Z,5Z)-N-methylocta-2,5-dien-1-amine
CID 143228963
hex-3-ene;sulfane
CID 174453265
hex-3-ene;hydrochloride
CID 159012047
(3Z,6Z)-1-bromonona-3,6-diene
CID 14077874
(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene
CID 158835556
(3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene
CID 102331083
(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenal
CID 10987375
2-methyldodeca-3,6,9-triene
CID 141042273
(2Z,4Z,7E)-deca-2,4,7-triene
CID 142167538
(2E)-octa-2,5-dienal
CID 152586701

Frequently Asked Questions

What is the IUPAC name of pentadeca-3,6,9,12-tetraene?
The IUPAC name of pentadeca-3,6,9,12-tetraene (CID 123748490) is pentadeca-3,6,9,12-tetraene.
What is the SMILES notation for pentadeca-3,6,9,12-tetraene?
The canonical SMILES for pentadeca-3,6,9,12-tetraene is CCC=CCC=CCC=CCC=CCC.
What is the InChIKey of pentadeca-3,6,9,12-tetraene?
The InChIKey is YUUWKTGSQCHBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h5-8,11-14H,3-4,9-10,15H2,1-2H3.
What are the key properties of pentadeca-3,6,9,12-tetraene?
pentadeca-3,6,9,12-tetraene has a molecular weight of 204.36 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-3,6,9,12-tetraene is sourced from PubChem (CID 123748490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).