9-hydroxy-14-methoxytetradecan-3-one

C15H30O3 — CID 163588324

IUPAC9-hydroxy-14-methoxytetradecan-3-one
SMILESCCC(=O)CCCCCC(O)CCCCCOC
InChIInChI=1S/C15H30O3/c1-3-14(16)10-6-4-7-11-15(17)12-8-5-9-13-18-2/h15,17H,3-13H2,1-2H3
InChIKeyXVDXHQWITVCCIH-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.48
Rot. Bonds13

About 9-hydroxy-14-methoxytetradecan-3-one

9-hydroxy-14-methoxytetradecan-3-one (PubChem CID 163588324) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 9-hydroxy-14-methoxytetradecan-3-one.

Molecular Properties

Compound Name9-hydroxy-14-methoxytetradecan-3-one
PubChem CID163588324
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name9-hydroxy-14-methoxytetradecan-3-one
SMILESCCC(=O)CCCCCC(O)CCCCCOC
InChIInChI=1S/C15H30O3/c1-3-14(16)10-6-4-7-11-15(17)12-8-5-9-13-18-2/h15,17H,3-13H2,1-2H3
InChIKeyXVDXHQWITVCCIH-UHFFFAOYSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxytritriacontan-3-one
CID 163195749
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
25-hydroxyhexatetracontan-21-one
CID 163029416
9-hydroxy-15-methoxy-4-propanoylpentadecane-2,12-dione
CID 163468162
CID 159048061
CID 159048061
(10S)-10-hydroxyhentriacontan-4-one
CID 162996297
36,47-dihydroxyhenpentacontan-4-one
CID 15693545
methyl 2-amino-10-oxododecanoate
CID 170309196
methane;undecane-3,9-dione
CID 158816586
decanoyl 7-hydroxyoctacosanoate
CID 91199944
(5R)-5-hydroxyhentriacontane-14,16-dione
CID 162890946
hexadecanoyl 9-hydroxyheptadecanoate
CID 150036681

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-14-methoxytetradecan-3-one?
The IUPAC name of 9-hydroxy-14-methoxytetradecan-3-one (CID 163588324) is 9-hydroxy-14-methoxytetradecan-3-one.
What is the SMILES notation for 9-hydroxy-14-methoxytetradecan-3-one?
The canonical SMILES for 9-hydroxy-14-methoxytetradecan-3-one is CCC(=O)CCCCCC(O)CCCCCOC.
What is the InChIKey of 9-hydroxy-14-methoxytetradecan-3-one?
The InChIKey is XVDXHQWITVCCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-3-14(16)10-6-4-7-11-15(17)12-8-5-9-13-18-2/h15,17H,3-13H2,1-2H3.
What are the key properties of 9-hydroxy-14-methoxytetradecan-3-one?
9-hydroxy-14-methoxytetradecan-3-one has a molecular weight of 258.40 g/mol, XLogP of 3.48, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-14-methoxytetradecan-3-one is sourced from PubChem (CID 163588324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).