4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one

C24H44O2 — CID 57023975

IUPAC4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one
SMILESCC=CC(O)C(=O)C=C(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C24H44O2/c1-7-11-23(25)24(26)18-22(6)17-10-16-21(5)15-9-14-20(4)13-8-12-19(2)3/h7,11,18-21,23,25H,8-10,12-17H2,1-6H3
InChIKeyDVSADQBNDUODMY-UHFFFAOYSA-N
MW364.61 g/mol
LogP6.88
Rot. Bonds15

About 4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one

4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one (PubChem CID 57023975) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is 4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one.

Molecular Properties

Compound Name4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one
PubChem CID57023975
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Name4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one
SMILESCC=CC(O)C(=O)C=C(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C24H44O2/c1-7-11-23(25)24(26)18-22(6)17-10-16-21(5)15-9-14-20(4)13-8-12-19(2)3/h7,11,18-21,23,25H,8-10,12-17H2,1-6H3
InChIKeyDVSADQBNDUODMY-UHFFFAOYSA-N
XLogP6.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174380036
indigane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174327196
(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide
CID 175222711
CID 170924185
CID 170924185
17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one
CID 57202060
lithium;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;bromide
CID 174970117
sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride
CID 174346153
(E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide
CID 88643116
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol
CID 174796441
(E)-1-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadec-2-en-1-one
CID 137412886
N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide
CID 54096321

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one?
The IUPAC name of 4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one (CID 57023975) is 4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one.
What is the SMILES notation for 4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one?
The canonical SMILES for 4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one is CC=CC(O)C(=O)C=C(C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one?
The InChIKey is DVSADQBNDUODMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2/c1-7-11-23(25)24(26)18-22(6)17-10-16-21(5)15-9-14-20(4)13-8-12-19(2)3/h7,11,18-21,23,25H,8-10,12-17H2,1-6H3.
What are the key properties of 4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one?
4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one has a molecular weight of 364.61 g/mol, XLogP of 6.88, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one is sourced from PubChem (CID 57023975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).