9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid

C15H26O5 — CID 91478968

IUPAC9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid
SMILESO=C(O)CCCCCCCC(=O)OC1CCC(O)CC1
InChIInChI=1S/C15H26O5/c16-12-8-10-13(11-9-12)20-15(19)7-5-3-1-2-4-6-14(17)18/h12-13,16H,1-11H2,(H,17,18)
InChIKeyUMHYPFMLUZGNNQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.65
Rot. Bonds9

About 9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid

9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid (PubChem CID 91478968) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid.

Molecular Properties

Compound Name9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid
PubChem CID91478968
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid
SMILESO=C(O)CCCCCCCC(=O)OC1CCC(O)CC1
InChIInChI=1S/C15H26O5/c16-12-8-10-13(11-9-12)20-15(19)7-5-3-1-2-4-6-14(17)18/h12-13,16H,1-11H2,(H,17,18)
InChIKeyUMHYPFMLUZGNNQ-UHFFFAOYSA-N
XLogP2.65
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
cyclopropyl decanoate
CID 154321154
4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid
CID 70322614
(4-hydroxycyclohexyl) pent-4-enoate
CID 139491509
(4-hydroxycyclohexyl) 3-phenylpropanoate
CID 132584936
[4-(5-oxohexanoyloxy)cyclohexyl] 5-oxohexanoate
CID 142724767
16-hydroperoxy-16-oxohexadecanoic acid
CID 141025407
9-hydroperoxy-9-oxononanoic acid
CID 54396666
(4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid
CID 67779844
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
dicyclohexyl pentanedioate
CID 15593941
cyclopentyl 6-bromohexanoate
CID 550489

Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid?
The IUPAC name of 9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid (CID 91478968) is 9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid.
What is the SMILES notation for 9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid?
The canonical SMILES for 9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid is O=C(O)CCCCCCCC(=O)OC1CCC(O)CC1.
What is the InChIKey of 9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid?
The InChIKey is UMHYPFMLUZGNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c16-12-8-10-13(11-9-12)20-15(19)7-5-3-1-2-4-6-14(17)18/h12-13,16H,1-11H2,(H,17,18).
What are the key properties of 9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid?
9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid has a molecular weight of 286.37 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxycyclohexyl)oxy-9-oxononanoic acid is sourced from PubChem (CID 91478968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).