5-(1-adamantyl)adamantan-2-ol

C20H30O — CID 68898703

IUPAC5-(1-adamantyl)adamantan-2-ol
SMILESOC1C2CC3CC1CC(C14CC5CC(CC(C5)C1)C4)(C3)C2
InChIInChI=1S/C20H30O/c21-18-16-4-15-5-17(18)11-20(9-15,10-16)19-6-12-1-13(7-19)3-14(2-12)8-19/h12-18,21H,1-11H2
InChIKeyQAXNXWGQAPCBFB-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.39
Rot. Bonds1

About 5-(1-adamantyl)adamantan-2-ol

5-(1-adamantyl)adamantan-2-ol (PubChem CID 68898703) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 5-(1-adamantyl)adamantan-2-ol.

Molecular Properties

Compound Name5-(1-adamantyl)adamantan-2-ol
PubChem CID68898703
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name5-(1-adamantyl)adamantan-2-ol
SMILESOC1C2CC3CC1CC(C14CC5CC(CC(C5)C1)C4)(C3)C2
InChIInChI=1S/C20H30O/c21-18-16-4-15-5-17(18)11-20(9-15,10-16)19-6-12-1-13(7-19)3-14(2-12)8-19/h12-18,21H,1-11H2
InChIKeyQAXNXWGQAPCBFB-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)adamantan-2-ol?
The IUPAC name of 5-(1-adamantyl)adamantan-2-ol (CID 68898703) is 5-(1-adamantyl)adamantan-2-ol.
What is the SMILES notation for 5-(1-adamantyl)adamantan-2-ol?
The canonical SMILES for 5-(1-adamantyl)adamantan-2-ol is OC1C2CC3CC1CC(C14CC5CC(CC(C5)C1)C4)(C3)C2.
What is the InChIKey of 5-(1-adamantyl)adamantan-2-ol?
The InChIKey is QAXNXWGQAPCBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c21-18-16-4-15-5-17(18)11-20(9-15,10-16)19-6-12-1-13(7-19)3-14(2-12)8-19/h12-18,21H,1-11H2.
What are the key properties of 5-(1-adamantyl)adamantan-2-ol?
5-(1-adamantyl)adamantan-2-ol has a molecular weight of 286.46 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)adamantan-2-ol is sourced from PubChem (CID 68898703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).