3-hydroxycyclodecane-1,2-dione

C10H16O3 — CID 130126471

IUPAC3-hydroxycyclodecane-1,2-dione
SMILESO=C1CCCCCCCC(O)C1=O
InChIInChI=1S/C10H16O3/c11-8-6-4-2-1-3-5-7-9(12)10(8)13/h8,11H,1-7H2
InChIKeyVKTRCJXTRFDQJD-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.23
Rot. Bonds

About 3-hydroxycyclodecane-1,2-dione

3-hydroxycyclodecane-1,2-dione (PubChem CID 130126471) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-hydroxycyclodecane-1,2-dione.

Molecular Properties

Compound Name3-hydroxycyclodecane-1,2-dione
PubChem CID130126471
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3-hydroxycyclodecane-1,2-dione
SMILESO=C1CCCCCCCC(O)C1=O
InChIInChI=1S/C10H16O3/c11-8-6-4-2-1-3-5-7-9(12)10(8)13/h8,11H,1-7H2
InChIKeyVKTRCJXTRFDQJD-UHFFFAOYSA-N
XLogP1.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-hydroxycycloundecan-1-one
CID 12608300
2-hydroxycyclotetracosan-1-one
CID 13429421
3-methylcyclododecane-1,2-dione
CID 12995105
(3R)-3,6-dihydroxycyclohexane-1,2-dione
CID 123290269
cyclotridecane-1,2-dione
CID 67428267
(10E)-20-hydroxycycloicos-10-en-1-one
CID 23510883
2-hydroxycyclohexadec-8-en-1-one
CID 67312344
22-hydroxycyclodocos-10-en-1-one
CID 91531502
4-hydroxyazepane-2,3-dione
CID 117273468
7-hydroxycyclododecan-1-one
CID 130125137
6-hydroxycyclododecan-1-one
CID 130125140
3-(2-oxocyclohexyl)cyclohexane-1,2-dione
CID 11041975

Frequently Asked Questions

What is the IUPAC name of 3-hydroxycyclodecane-1,2-dione?
The IUPAC name of 3-hydroxycyclodecane-1,2-dione (CID 130126471) is 3-hydroxycyclodecane-1,2-dione.
What is the SMILES notation for 3-hydroxycyclodecane-1,2-dione?
The canonical SMILES for 3-hydroxycyclodecane-1,2-dione is O=C1CCCCCCCC(O)C1=O.
What is the InChIKey of 3-hydroxycyclodecane-1,2-dione?
The InChIKey is VKTRCJXTRFDQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-8-6-4-2-1-3-5-7-9(12)10(8)13/h8,11H,1-7H2.
What are the key properties of 3-hydroxycyclodecane-1,2-dione?
3-hydroxycyclodecane-1,2-dione has a molecular weight of 184.23 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxycyclodecane-1,2-dione is sourced from PubChem (CID 130126471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).