2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione

C16H24O3 — CID 68632469

IUPAC2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(CCCCCCCCCCO)=C1
InChIInChI=1S/C16H24O3/c17-12-8-6-4-2-1-3-5-7-9-14-13-15(18)10-11-16(14)19/h10-11,13,17H,1-9,12H2
InChIKeyFIFJOBVDJQJKGB-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.12
Rot. Bonds10

About 2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione

2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 68632469) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID68632469
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(CCCCCCCCCCO)=C1
InChIInChI=1S/C16H24O3/c17-12-8-6-4-2-1-3-5-7-9-14-13-15(18)10-11-16(14)19/h10-11,13,17H,1-9,12H2
InChIKeyFIFJOBVDJQJKGB-UHFFFAOYSA-N
XLogP3.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

11-(Cyclopenten-1-yl)-11-oxo-undecanoic acid
CID 46214743
Vce-003
CID 53377584
(Z)-1-hydroxyhexadec-10-en-7-one
CID 13964640
(E,2S)-1,2-dihydroxydocos-8-en-10-one
CID 56945328
3-Hexyl-2-hydroxy-6-pentylbenzoquinone
CID 11507398
2,3-Dimethyl-5-methyl-6-(10-hydroxydecyl)quinone
CID 13025396
Undecanoic acid, 11-(5-oxo-1-cyclopenten-1-yl)-
CID 3040251
2-[(Z,1S)-1-hydroxyhept-4-enyl]cyclohex-2-en-1-one
CID 16758569
(E)-11-hydroxyheptadec-7-en-9-one
CID 44410023
5-Heptyl-2-hexyl-3-hydroxycyclohexa-2,5-diene-1,4-dione
CID 156017249
34-Hydroxy-3-methyltetratriacont-3-en-5-one
CID 85550303
(E,8S)-8-hydroxy-3-methylnon-2-en-4-one
CID 163001732

Frequently Asked Questions

What is the IUPAC name of 2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione (CID 68632469) is 2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione is O=C1C=CC(=O)C(CCCCCCCCCCO)=C1.
What is the InChIKey of 2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is FIFJOBVDJQJKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c17-12-8-6-4-2-1-3-5-7-9-14-13-15(18)10-11-16(14)19/h10-11,13,17H,1-9,12H2.
What are the key properties of 2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione?
2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 264.36 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-hydroxydecyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 68632469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).