4-hydroxycyclododecan-1-one

C12H22O2 — CID 13130165

IUPAC4-hydroxycyclododecan-1-one
SMILESO=C1CCCCCCCCC(O)CC1
InChIInChI=1S/C12H22O2/c13-11-7-5-3-1-2-4-6-8-12(14)10-9-11/h11,13H,1-10H2
InChIKeyLSWINWRBFHGLLM-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.83
Rot. Bonds

About 4-hydroxycyclododecan-1-one

4-hydroxycyclododecan-1-one (PubChem CID 13130165) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-hydroxycyclododecan-1-one.

Molecular Properties

Compound Name4-hydroxycyclododecan-1-one
PubChem CID13130165
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-hydroxycyclododecan-1-one
SMILESO=C1CCCCCCCCC(O)CC1
InChIInChI=1S/C12H22O2/c13-11-7-5-3-1-2-4-6-8-12(14)10-9-11/h11,13H,1-10H2
InChIKeyLSWINWRBFHGLLM-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-hydroxycyclododecan-1-one
CID 130125137
6-hydroxycyclododecan-1-one
CID 130125140
cyclotricosanone
CID 54375596
cyclododecanone
CID 141308130
cyclohexanol;cyclooctanol
CID 22461579
4-(4-hydroxycyclohexyl)cyclohexan-1-one
CID 10198069
cyclohexane;cyclohexanone;sulfane
CID 175236228
azane;cyclononanone
CID 172719607
cyclohexanol;iron
CID 146901686
tetrakis(cyclooctanol);zirconium
CID 142301923
cyclohexanol;gallane
CID 172997547
4-[di(cyclooctyl)amino]cyclohexan-1-one
CID 138676674

Frequently Asked Questions

What is the IUPAC name of 4-hydroxycyclododecan-1-one?
The IUPAC name of 4-hydroxycyclododecan-1-one (CID 13130165) is 4-hydroxycyclododecan-1-one.
What is the SMILES notation for 4-hydroxycyclododecan-1-one?
The canonical SMILES for 4-hydroxycyclododecan-1-one is O=C1CCCCCCCCC(O)CC1.
What is the InChIKey of 4-hydroxycyclododecan-1-one?
The InChIKey is LSWINWRBFHGLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c13-11-7-5-3-1-2-4-6-8-12(14)10-9-11/h11,13H,1-10H2.
What are the key properties of 4-hydroxycyclododecan-1-one?
4-hydroxycyclododecan-1-one has a molecular weight of 198.31 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxycyclododecan-1-one is sourced from PubChem (CID 13130165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).