tetratriacont-20-en-2-one

C34H66O — CID 56637991

IUPACtetratriacont-20-en-2-one
SMILESCCCCCCCCCCCCCC=CCCCCCCCCCCCCCCCCCC(C)=O
InChIInChI=1S/C34H66O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(2)35/h15-16H,3-14,17-33H2,1-2H3
InChIKeyWWQYYFVPMJEECJ-UHFFFAOYSA-N
MW490.90 g/mol
LogP12.46
Rot. Bonds30

About tetratriacont-20-en-2-one

tetratriacont-20-en-2-one (PubChem CID 56637991) has the molecular formula C34H66O and a molecular weight of 490.90 g/mol. Its IUPAC name is tetratriacont-20-en-2-one.

Molecular Properties

Compound Nametetratriacont-20-en-2-one
PubChem CID56637991
Molecular FormulaC34H66O
Molecular Weight490.90 g/mol
Exact Mass490.51
IUPAC Nametetratriacont-20-en-2-one
SMILESCCCCCCCCCCCCCC=CCCCCCCCCCCCCCCCCCC(C)=O
InChIInChI=1S/C34H66O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(2)35/h15-16H,3-14,17-33H2,1-2H3
InChIKeyWWQYYFVPMJEECJ-UHFFFAOYSA-N
XLogP12.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.90
LogP ≤ 512.46
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

henicos-9-en-2-one
CID 91100997
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
(Z)-tricos-16-en-2-one
CID 134866400
disodium;hydride;(Z)-nonadec-10-en-2-one
CID 175011557
heptatriaconta-6,28-dien-2-one
CID 549930
pentadec-10-en-2-one
CID 71443705
(10E,13E)-nonadeca-10,13-dien-2-one
CID 10333807
dodec-7-en-2-one
CID 123882998
nonadeca-9,11-dien-2-one
CID 76564066

Frequently Asked Questions

What is the IUPAC name of tetratriacont-20-en-2-one?
The IUPAC name of tetratriacont-20-en-2-one (CID 56637991) is tetratriacont-20-en-2-one.
What is the SMILES notation for tetratriacont-20-en-2-one?
The canonical SMILES for tetratriacont-20-en-2-one is CCCCCCCCCCCCCC=CCCCCCCCCCCCCCCCCCC(C)=O.
What is the InChIKey of tetratriacont-20-en-2-one?
The InChIKey is WWQYYFVPMJEECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(2)35/h15-16H,3-14,17-33H2,1-2H3.
What are the key properties of tetratriacont-20-en-2-one?
tetratriacont-20-en-2-one has a molecular weight of 490.90 g/mol, XLogP of 12.46, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetratriacont-20-en-2-one is sourced from PubChem (CID 56637991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).