1-hydroxyadamantan-2-one

C10H14O2 — CID 10964884

IUPAC1-hydroxyadamantan-2-one
SMILESO=C1C2CC3CC(C2)CC1(O)C3
InChIInChI=1S/C10H14O2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-8,12H,1-5H2
InChIKeyXRDNWHRYHHULRF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.13
Rot. Bonds

About 1-hydroxyadamantan-2-one

1-hydroxyadamantan-2-one (PubChem CID 10964884) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-hydroxyadamantan-2-one.

Molecular Properties

Compound Name1-hydroxyadamantan-2-one
PubChem CID10964884
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-hydroxyadamantan-2-one
SMILESO=C1C2CC3CC(C2)CC1(O)C3
InChIInChI=1S/C10H14O2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-8,12H,1-5H2
InChIKeyXRDNWHRYHHULRF-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyadamantan-2-one?
The IUPAC name of 1-hydroxyadamantan-2-one (CID 10964884) is 1-hydroxyadamantan-2-one.
What is the SMILES notation for 1-hydroxyadamantan-2-one?
The canonical SMILES for 1-hydroxyadamantan-2-one is O=C1C2CC3CC(C2)CC1(O)C3.
What is the InChIKey of 1-hydroxyadamantan-2-one?
The InChIKey is XRDNWHRYHHULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-8,12H,1-5H2.
What are the key properties of 1-hydroxyadamantan-2-one?
1-hydroxyadamantan-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyadamantan-2-one is sourced from PubChem (CID 10964884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).