pentadeca-1,7,10-triene

C15H26 — CID 174048702

IUPACpentadeca-1,7,10-triene
SMILESC=CCCCCC=CCC=CCCCC
InChIInChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,10,12-13,15H,1,4-9,11,14H2,2H3
InChIKeySRXZIQNAHGRLJV-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.43
Rot. Bonds10

About pentadeca-1,7,10-triene

pentadeca-1,7,10-triene (PubChem CID 174048702) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is pentadeca-1,7,10-triene.

Molecular Properties

Compound Namepentadeca-1,7,10-triene
PubChem CID174048702
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Namepentadeca-1,7,10-triene
SMILESC=CCCCCC=CCC=CCCCC
InChIInChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,10,12-13,15H,1,4-9,11,14H2,2H3
InChIKeySRXZIQNAHGRLJV-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.43
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

(10Z,13Z)-nonadeca-1,10,13-triene
CID 11832238
(6Z,9Z)-heptadeca-1,6,9-triene
CID 56936104
hexadeca-1,7,11-triene
CID 174048514
(Z)-dec-5-ene;hex-1-ene
CID 141304086
hexadec-6-ene;hex-1-ene
CID 158850904
heptadeca-1,7-diene
CID 57204265
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
triaconta-1,19-diene
CID 54007897
pentaconta-1,25-diene
CID 90941740
hexadeca-1,10-diene
CID 56606054

Frequently Asked Questions

What is the IUPAC name of pentadeca-1,7,10-triene?
The IUPAC name of pentadeca-1,7,10-triene (CID 174048702) is pentadeca-1,7,10-triene.
What is the SMILES notation for pentadeca-1,7,10-triene?
The canonical SMILES for pentadeca-1,7,10-triene is C=CCCCCC=CCC=CCCCC.
What is the InChIKey of pentadeca-1,7,10-triene?
The InChIKey is SRXZIQNAHGRLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,10,12-13,15H,1,4-9,11,14H2,2H3.
What are the key properties of pentadeca-1,7,10-triene?
pentadeca-1,7,10-triene has a molecular weight of 206.37 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-1,7,10-triene is sourced from PubChem (CID 174048702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).