5-but-3-enyltetradeca-1,6,13-triene

C18H30 — CID 56625565

IUPAC5-but-3-enyltetradeca-1,6,13-triene
SMILESC=CCCCCCC=CC(CCC=C)CCC=C
InChIInChI=1S/C18H30/c1-4-7-10-11-12-13-14-17-18(15-8-5-2)16-9-6-3/h4-6,14,17-18H,1-3,7-13,15-16H2
InChIKeyHHZZMYQYWNXLLA-UHFFFAOYSA-N
MW246.44 g/mol
LogP6.23
Rot. Bonds13

About 5-but-3-enyltetradeca-1,6,13-triene

5-but-3-enyltetradeca-1,6,13-triene (PubChem CID 56625565) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 5-but-3-enyltetradeca-1,6,13-triene.

Molecular Properties

Compound Name5-but-3-enyltetradeca-1,6,13-triene
PubChem CID56625565
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name5-but-3-enyltetradeca-1,6,13-triene
SMILESC=CCCCCCC=CC(CCC=C)CCC=C
InChIInChI=1S/C18H30/c1-4-7-10-11-12-13-14-17-18(15-8-5-2)16-9-6-3/h4-6,14,17-18H,1-3,7-13,15-16H2
InChIKeyHHZZMYQYWNXLLA-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.23
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

icosa-1,9,19-triene
CID 57001912
heptahexaconta-1,23,66-triene
CID 57275880
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
(6Z)-pentadeca-1,6-dien-5-amine
CID 145310316
CID 135082421
CID 135082421
(E)-6-butylhexacos-7-ene
CID 173194372
(1Z)-nona-1,8-dien-1-amine
CID 149197195
13-pent-4-enylheptacosa-1,26-diene
CID 91232021
dodeca-1,6,11-triene
CID 548864
heptadeca-1,7-diene
CID 57204265
pentacosa-1,16-diene
CID 57082437

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyltetradeca-1,6,13-triene?
The IUPAC name of 5-but-3-enyltetradeca-1,6,13-triene (CID 56625565) is 5-but-3-enyltetradeca-1,6,13-triene.
What is the SMILES notation for 5-but-3-enyltetradeca-1,6,13-triene?
The canonical SMILES for 5-but-3-enyltetradeca-1,6,13-triene is C=CCCCCCC=CC(CCC=C)CCC=C.
What is the InChIKey of 5-but-3-enyltetradeca-1,6,13-triene?
The InChIKey is HHZZMYQYWNXLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-4-7-10-11-12-13-14-17-18(15-8-5-2)16-9-6-3/h4-6,14,17-18H,1-3,7-13,15-16H2.
What are the key properties of 5-but-3-enyltetradeca-1,6,13-triene?
5-but-3-enyltetradeca-1,6,13-triene has a molecular weight of 246.44 g/mol, XLogP of 6.23, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyltetradeca-1,6,13-triene is sourced from PubChem (CID 56625565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).