1-hydroxy-5-methyladamantan-2-one

C11H16O2 — CID 139814609

IUPAC1-hydroxy-5-methyladamantan-2-one
SMILESCC12CC3CC(C1)C(=O)C(O)(C3)C2
InChIInChI=1S/C11H16O2/c1-10-3-7-2-8(5-10)9(12)11(13,4-7)6-10/h7-8,13H,2-6H2,1H3
InChIKeyNTMISPCJVSCMAV-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.52
Rot. Bonds

About 1-hydroxy-5-methyladamantan-2-one

1-hydroxy-5-methyladamantan-2-one (PubChem CID 139814609) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-hydroxy-5-methyladamantan-2-one.

Molecular Properties

Compound Name1-hydroxy-5-methyladamantan-2-one
PubChem CID139814609
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-hydroxy-5-methyladamantan-2-one
SMILESCC12CC3CC(C1)C(=O)C(O)(C3)C2
InChIInChI=1S/C11H16O2/c1-10-3-7-2-8(5-10)9(12)11(13,4-7)6-10/h7-8,13H,2-6H2,1H3
InChIKeyNTMISPCJVSCMAV-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methyladamantan-2-one?
The IUPAC name of 1-hydroxy-5-methyladamantan-2-one (CID 139814609) is 1-hydroxy-5-methyladamantan-2-one.
What is the SMILES notation for 1-hydroxy-5-methyladamantan-2-one?
The canonical SMILES for 1-hydroxy-5-methyladamantan-2-one is CC12CC3CC(C1)C(=O)C(O)(C3)C2.
What is the InChIKey of 1-hydroxy-5-methyladamantan-2-one?
The InChIKey is NTMISPCJVSCMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-10-3-7-2-8(5-10)9(12)11(13,4-7)6-10/h7-8,13H,2-6H2,1H3.
What are the key properties of 1-hydroxy-5-methyladamantan-2-one?
1-hydroxy-5-methyladamantan-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methyladamantan-2-one is sourced from PubChem (CID 139814609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).