tricos-7-ene-2,5,15,18,21-pentone

C23H36O5 — CID 149435006

IUPACtricos-7-ene-2,5,15,18,21-pentone
SMILESCCC(=O)CCC(=O)CCC(=O)CCCCCCC=CCC(=O)CCC(C)=O
InChIInChI=1S/C23H36O5/c1-3-20(25)15-16-23(28)18-17-22(27)12-10-8-6-4-5-7-9-11-21(26)14-13-19(2)24/h7,9H,3-6,8,10-18H2,1-2H3
InChIKeyYASDAMSCJQDYKJ-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.89
Rot. Bonds19

About tricos-7-ene-2,5,15,18,21-pentone

tricos-7-ene-2,5,15,18,21-pentone (PubChem CID 149435006) has the molecular formula C23H36O5 and a molecular weight of 392.54 g/mol. Its IUPAC name is tricos-7-ene-2,5,15,18,21-pentone.

Molecular Properties

Compound Nametricos-7-ene-2,5,15,18,21-pentone
PubChem CID149435006
Molecular FormulaC23H36O5
Molecular Weight392.54 g/mol
Exact Mass392.26
IUPAC Nametricos-7-ene-2,5,15,18,21-pentone
SMILESCCC(=O)CCC(=O)CCC(=O)CCCCCCC=CCC(=O)CCC(C)=O
InChIInChI=1S/C23H36O5/c1-3-20(25)15-16-23(28)18-17-22(27)12-10-8-6-4-5-7-9-11-21(26)14-13-19(2)24/h7,9H,3-6,8,10-18H2,1-2H3
InChIKeyYASDAMSCJQDYKJ-UHFFFAOYSA-N
XLogP4.89
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

pentadec-10-en-3-one
CID 175973732
pentadecane-2,7,13-trione
CID 154620463
hexadec-13-ene-2,6-dione
CID 141028484
(E)-undec-9-en-3-one
CID 22074109
hexadec-8-ene-2,15-dione
CID 91429732
pentadecane-2,13-dione
CID 58143587
(E)-triacont-15-ene-8,23-dione
CID 11849500
(E)-dotriacont-23-en-2-one
CID 5365248
(E)-icos-10-en-2-one
CID 137410632
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-pentacos-16-en-2-one
CID 90307095
(Z)-tricos-16-en-2-one
CID 134866400

Frequently Asked Questions

What is the IUPAC name of tricos-7-ene-2,5,15,18,21-pentone?
The IUPAC name of tricos-7-ene-2,5,15,18,21-pentone (CID 149435006) is tricos-7-ene-2,5,15,18,21-pentone.
What is the SMILES notation for tricos-7-ene-2,5,15,18,21-pentone?
The canonical SMILES for tricos-7-ene-2,5,15,18,21-pentone is CCC(=O)CCC(=O)CCC(=O)CCCCCCC=CCC(=O)CCC(C)=O.
What is the InChIKey of tricos-7-ene-2,5,15,18,21-pentone?
The InChIKey is YASDAMSCJQDYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O5/c1-3-20(25)15-16-23(28)18-17-22(27)12-10-8-6-4-5-7-9-11-21(26)14-13-19(2)24/h7,9H,3-6,8,10-18H2,1-2H3.
What are the key properties of tricos-7-ene-2,5,15,18,21-pentone?
tricos-7-ene-2,5,15,18,21-pentone has a molecular weight of 392.54 g/mol, XLogP of 4.89, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tricos-7-ene-2,5,15,18,21-pentone is sourced from PubChem (CID 149435006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).