14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one

C24H48O2 — CID 123797490

IUPAC14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one
SMILESCCCCCCCCC(=O)CC(C)CC(C)(O)C(CC)C(C)CC(C)C
InChIInChI=1S/C24H48O2/c1-8-10-11-12-13-14-15-22(25)17-20(5)18-24(7,26)23(9-2)21(6)16-19(3)4/h19-21,23,26H,8-18H2,1-7H3
InChIKeyXWIOBKFZVAUFJI-UHFFFAOYSA-N
MW368.65 g/mol
LogP7.18
Rot. Bonds16

About 14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one

14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one (PubChem CID 123797490) has the molecular formula C24H48O2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one.

Molecular Properties

Compound Name14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one
PubChem CID123797490
Molecular FormulaC24H48O2
Molecular Weight368.65 g/mol
Exact Mass368.37
IUPAC Name14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one
SMILESCCCCCCCCC(=O)CC(C)CC(C)(O)C(CC)C(C)CC(C)C
InChIInChI=1S/C24H48O2/c1-8-10-11-12-13-14-15-22(25)17-20(5)18-24(7,26)23(9-2)21(6)16-19(3)4/h19-21,23,26H,8-18H2,1-7H3
InChIKeyXWIOBKFZVAUFJI-UHFFFAOYSA-N
XLogP7.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyltetradecan-6-one
CID 57292607
5-methyltridecan-7-one
CID 71413449
(2R)-2-amino-4-methyl-6-oxohenicosanoic acid
CID 90102873
2-methylhexadecan-4-one
CID 63411798
4-methyltetradecan-6-one
CID 12635285
12-methylhenicosan-10-one
CID 71761778
2-methylhexadecane-4,7-dione
CID 57053022
(4R)-4-(aminomethyl)-2-methyldodecan-6-one
CID 126693960
2-hydroxyundecan-4-one
CID 57218315
4-amino-2-methyltetradecan-5-one
CID 116553430
19-aminooctatriacontane-18,21-dione
CID 163964320
methyl (3R)-3-methyl-5-oxoundecanoate
CID 13198418

Frequently Asked Questions

What is the IUPAC name of 14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one?
The IUPAC name of 14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one (CID 123797490) is 14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one.
What is the SMILES notation for 14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one?
The canonical SMILES for 14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one is CCCCCCCCC(=O)CC(C)CC(C)(O)C(CC)C(C)CC(C)C.
What is the InChIKey of 14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one?
The InChIKey is XWIOBKFZVAUFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2/c1-8-10-11-12-13-14-15-22(25)17-20(5)18-24(7,26)23(9-2)21(6)16-19(3)4/h19-21,23,26H,8-18H2,1-7H3.
What are the key properties of 14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one?
14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one has a molecular weight of 368.65 g/mol, XLogP of 7.18, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one is sourced from PubChem (CID 123797490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).