(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one

C22H36O — CID 87555668

IUPAC(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(C)=O
InChIInChI=1S/C22H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyYKOFXGJXRXIKBY-ZKWNWVNESA-N
MW316.53 g/mol
LogP7.11
Rot. Bonds15

About (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one

(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one (PubChem CID 87555668) has the molecular formula C22H36O and a molecular weight of 316.53 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one.

Molecular Properties

Compound Name(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one
PubChem CID87555668
Molecular FormulaC22H36O
Molecular Weight316.53 g/mol
Exact Mass316.28
IUPAC Name(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(C)=O
InChIInChI=1S/C22H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyYKOFXGJXRXIKBY-ZKWNWVNESA-N
XLogP7.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 57.11
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

(10E,13E)-nonadeca-10,13-dien-2-one
CID 10333807
henicos-9-en-2-one
CID 91100997
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-tricos-16-en-2-one
CID 134866400
tetratriacont-20-en-2-one
CID 56637991
(8Z,11Z)-pentadeca-8,11-dien-2-one
CID 25172308
(10Z,13Z,16Z)-icosa-10,13,16-trien-2-one
CID 59917255
dodec-7-en-2-one
CID 123882998
disodium;hydride;(Z)-nonadec-10-en-2-one
CID 175011557

Frequently Asked Questions

What is the IUPAC name of (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one?
The IUPAC name of (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one (CID 87555668) is (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one.
What is the SMILES notation for (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one?
The canonical SMILES for (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(C)=O.
What is the InChIKey of (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one?
The InChIKey is YKOFXGJXRXIKBY-ZKWNWVNESA-N. The full InChI is InChI=1S/C22H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one?
(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one has a molecular weight of 316.53 g/mol, XLogP of 7.11, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one is sourced from PubChem (CID 87555668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).