heptadeca-3,6,12-triene

C17H30 — CID 54220025

IUPACheptadeca-3,6,12-triene
SMILESCCC=CCC=CCCCCC=CCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h5,7,10-13H,3-4,6,8-9,14-17H2,1-2H3
InChIKeyIPVBVILHACMODI-UHFFFAOYSA-N
MW234.43 g/mol
LogP6.21
Rot. Bonds11

About heptadeca-3,6,12-triene

heptadeca-3,6,12-triene (PubChem CID 54220025) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is heptadeca-3,6,12-triene.

Molecular Properties

Compound Nameheptadeca-3,6,12-triene
PubChem CID54220025
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Nameheptadeca-3,6,12-triene
SMILESCCC=CCC=CCCCCC=CCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h5,7,10-13H,3-4,6,8-9,14-17H2,1-2H3
InChIKeyIPVBVILHACMODI-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.21
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'}

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Related Compounds

henicosa-3,6-diene
CID 72727393
hexadeca-3,6,9-triene
CID 56627141
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
(5E,8E)-tetradeca-5,8-diene
CID 13430684
heptadeca-5,8,11-triene
CID 54101473
(E)-non-3-ene
CID 5364445
methane;(5Z,8Z,11Z,14Z)-nonadeca-5,8,11,14-tetraene
CID 159218033
trideca-3,5,8-triene
CID 154411213
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(E)-nonacos-3-ene
CID 22172230
(E)-heptadec-3-ene
CID 5352250

Frequently Asked Questions

What is the IUPAC name of heptadeca-3,6,12-triene?
The IUPAC name of heptadeca-3,6,12-triene (CID 54220025) is heptadeca-3,6,12-triene.
What is the SMILES notation for heptadeca-3,6,12-triene?
The canonical SMILES for heptadeca-3,6,12-triene is CCC=CCC=CCCCCC=CCCCC.
What is the InChIKey of heptadeca-3,6,12-triene?
The InChIKey is IPVBVILHACMODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h5,7,10-13H,3-4,6,8-9,14-17H2,1-2H3.
What are the key properties of heptadeca-3,6,12-triene?
heptadeca-3,6,12-triene has a molecular weight of 234.43 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-3,6,12-triene is sourced from PubChem (CID 54220025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).