(11E)-pentadeca-1,11-diene

C15H28 — CID 15206768

IUPAC(11E)-pentadeca-1,11-diene
SMILESC=CCCCCCCCC/C=C/CCC
InChIInChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,8,10H,1,4-7,9,11-15H2,2H3/b10-8+
InChIKeySRFBEDASXXYDRL-CSKARUKUSA-N
MW208.39 g/mol
LogP5.65
Rot. Bonds11

About (11E)-pentadeca-1,11-diene

(11E)-pentadeca-1,11-diene (PubChem CID 15206768) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (11E)-pentadeca-1,11-diene.

Molecular Properties

Compound Name(11E)-pentadeca-1,11-diene
PubChem CID15206768
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(11E)-pentadeca-1,11-diene
SMILESC=CCCCCCCCC/C=C/CCC
InChIInChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,8,10H,1,4-7,9,11-15H2,2H3/b10-8+
InChIKeySRFBEDASXXYDRL-CSKARUKUSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.65
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

tetradeca-1,10-diene
CID 141056381
(6E,13E)-heptadeca-1,6,13-triene
CID 122203788
triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
heptadeca-1,7-diene
CID 57204265
(7E)-heptadeca-1,7-diene
CID 19050683
(18Z)-heptacosa-1,18-diene
CID 14841085

Frequently Asked Questions

What is the IUPAC name of (11E)-pentadeca-1,11-diene?
The IUPAC name of (11E)-pentadeca-1,11-diene (CID 15206768) is (11E)-pentadeca-1,11-diene.
What is the SMILES notation for (11E)-pentadeca-1,11-diene?
The canonical SMILES for (11E)-pentadeca-1,11-diene is C=CCCCCCCCC/C=C/CCC.
What is the InChIKey of (11E)-pentadeca-1,11-diene?
The InChIKey is SRFBEDASXXYDRL-CSKARUKUSA-N. The full InChI is InChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3,8,10H,1,4-7,9,11-15H2,2H3/b10-8+.
What are the key properties of (11E)-pentadeca-1,11-diene?
(11E)-pentadeca-1,11-diene has a molecular weight of 208.39 g/mol, XLogP of 5.65, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-pentadeca-1,11-diene is sourced from PubChem (CID 15206768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).