(20Z,23Z)-triaconta-20,23-dien-10-one

C30H56O — CID 126495161

IUPAC(20Z,23Z)-triaconta-20,23-dien-10-one
SMILESCCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)CCCCCCCCC
InChIInChI=1S/C30H56O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-29-30(31)28-26-24-22-10-8-6-4-2/h12-13,15-16H,3-11,14,17-29H2,1-2H3/b13-12-,16-15-
InChIKeyDKDFNPUJYBGSRX-QGLGPCELSA-N
MW432.78 g/mol
LogP10.68
Rot. Bonds25

About (20Z,23Z)-triaconta-20,23-dien-10-one

(20Z,23Z)-triaconta-20,23-dien-10-one (PubChem CID 126495161) has the molecular formula C30H56O and a molecular weight of 432.78 g/mol. Its IUPAC name is (20Z,23Z)-triaconta-20,23-dien-10-one.

Molecular Properties

Compound Name(20Z,23Z)-triaconta-20,23-dien-10-one
PubChem CID126495161
Molecular FormulaC30H56O
Molecular Weight432.78 g/mol
Exact Mass432.43
IUPAC Name(20Z,23Z)-triaconta-20,23-dien-10-one
SMILESCCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)CCCCCCCCC
InChIInChI=1S/C30H56O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-29-30(31)28-26-24-22-10-8-6-4-2/h12-13,15-16H,3-11,14,17-29H2,1-2H3/b13-12-,16-15-
InChIKeyDKDFNPUJYBGSRX-QGLGPCELSA-N
XLogP10.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.78
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(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
(12Z,15Z)-henicosa-12,15-dien-4-one
CID 10946721
(E)-triacont-15-ene-8,23-dione
CID 11849500
(E)-nonadec-12-en-9-one
CID 15584258
tetracosa-20,23-dien-10-one
CID 123873281
(6Z,9Z,27Z,30Z)-hexatriaconta-6,9,27,30-tetraen-18-ol;(6Z,9Z,27Z,30Z)-hexatriaconta-6,9,27,30-tetraen-18-one
CID 158497587
3-oxoicosa-11,14-dienoic acid
CID 123247176
hexacosa-9,12-dienoic acid
CID 169276991
(20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid
CID 165313676
octatriaconta-20,23,26,29,32-pentaenoic acid
CID 75955171
(6E,9E)-hexadeca-6,9-dienoic acid
CID 5312424

Frequently Asked Questions

What is the IUPAC name of (20Z,23Z)-triaconta-20,23-dien-10-one?
The IUPAC name of (20Z,23Z)-triaconta-20,23-dien-10-one (CID 126495161) is (20Z,23Z)-triaconta-20,23-dien-10-one.
What is the SMILES notation for (20Z,23Z)-triaconta-20,23-dien-10-one?
The canonical SMILES for (20Z,23Z)-triaconta-20,23-dien-10-one is CCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)CCCCCCCCC.
What is the InChIKey of (20Z,23Z)-triaconta-20,23-dien-10-one?
The InChIKey is DKDFNPUJYBGSRX-QGLGPCELSA-N. The full InChI is InChI=1S/C30H56O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-29-30(31)28-26-24-22-10-8-6-4-2/h12-13,15-16H,3-11,14,17-29H2,1-2H3/b13-12-,16-15-.
What are the key properties of (20Z,23Z)-triaconta-20,23-dien-10-one?
(20Z,23Z)-triaconta-20,23-dien-10-one has a molecular weight of 432.78 g/mol, XLogP of 10.68, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (20Z,23Z)-triaconta-20,23-dien-10-one is sourced from PubChem (CID 126495161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).