(E)-triacont-15-ene-8,23-dione

C30H56O2 — CID 11849500

IUPAC(E)-triacont-15-ene-8,23-dione
SMILESCCCCCCCC(=O)CCCCCC/C=C/CCCCCCC(=O)CCCCCCC
InChIInChI=1S/C30H56O2/c1-3-5-7-17-21-25-29(31)27-23-19-15-13-11-9-10-12-14-16-20-24-28-30(32)26-22-18-8-6-4-2/h9-10H,3-8,11-28H2,1-2H3/b10-9+
InChIKeyRKSJJMAIFSNTQX-MDZDMXLPSA-N
MW448.78 g/mol
LogP10.08
Rot. Bonds26

About (E)-triacont-15-ene-8,23-dione

(E)-triacont-15-ene-8,23-dione (PubChem CID 11849500) has the molecular formula C30H56O2 and a molecular weight of 448.78 g/mol. Its IUPAC name is (E)-triacont-15-ene-8,23-dione.

Molecular Properties

Compound Name(E)-triacont-15-ene-8,23-dione
PubChem CID11849500
Molecular FormulaC30H56O2
Molecular Weight448.78 g/mol
Exact Mass448.43
IUPAC Name(E)-triacont-15-ene-8,23-dione
SMILESCCCCCCCC(=O)CCCCCC/C=C/CCCCCCC(=O)CCCCCCC
InChIInChI=1S/C30H56O2/c1-3-5-7-17-21-25-29(31)27-23-19-15-13-11-9-10-12-14-16-20-24-28-30(32)26-22-18-8-6-4-2/h9-10H,3-8,11-28H2,1-2H3/b10-9+
InChIKeyRKSJJMAIFSNTQX-MDZDMXLPSA-N
XLogP10.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.78
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(E)-nonadec-12-en-9-one
CID 15584258
(6Z,9Z,12Z,25Z,28Z,31Z)-heptatriaconta-6,9,12,25,28,31-hexaen-19-one
CID 58205069
hexacosa-17,20-dien-9-one
CID 163047379
(20Z,23Z)-triaconta-20,23-dien-10-one
CID 126495161
(12Z,15Z)-henicosa-12,15-dien-4-one
CID 10946721
(Z)-1-chloropentacos-16-en-3-one
CID 162712776
tritriaconta-12,14-dien-5-one
CID 162922965
tetracosa-20,23-dien-10-one
CID 123873281
heptadec-2-en-7-one
CID 54227331
(Z)-hexadec-9-enethioic S-acid
CID 121337660
pentadec-10-en-3-one
CID 175973732
nonadecan-7-one
CID 12913434

Frequently Asked Questions

What is the IUPAC name of (E)-triacont-15-ene-8,23-dione?
The IUPAC name of (E)-triacont-15-ene-8,23-dione (CID 11849500) is (E)-triacont-15-ene-8,23-dione.
What is the SMILES notation for (E)-triacont-15-ene-8,23-dione?
The canonical SMILES for (E)-triacont-15-ene-8,23-dione is CCCCCCCC(=O)CCCCCC/C=C/CCCCCCC(=O)CCCCCCC.
What is the InChIKey of (E)-triacont-15-ene-8,23-dione?
The InChIKey is RKSJJMAIFSNTQX-MDZDMXLPSA-N. The full InChI is InChI=1S/C30H56O2/c1-3-5-7-17-21-25-29(31)27-23-19-15-13-11-9-10-12-14-16-20-24-28-30(32)26-22-18-8-6-4-2/h9-10H,3-8,11-28H2,1-2H3/b10-9+.
What are the key properties of (E)-triacont-15-ene-8,23-dione?
(E)-triacont-15-ene-8,23-dione has a molecular weight of 448.78 g/mol, XLogP of 10.08, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-triacont-15-ene-8,23-dione is sourced from PubChem (CID 11849500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).