5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol

C11H17IO2 — CID 122499288

IUPAC5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol
SMILESOC1C2CC3CC1CC([C@H](O)I)(C3)C2
InChIInChI=1S/C11H17IO2/c12-10(14)11-3-6-1-7(4-11)9(13)8(2-6)5-11/h6-10,13-14H,1-5H2/t6?,7?,8?,9?,10-,11?/m0/s1
InChIKeyYQNZMHSPOGAOPH-FWDFMDSNSA-N
MW308.16 g/mol
LogP1.93
Rot. Bonds1

About 5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol

5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol (PubChem CID 122499288) has the molecular formula C11H17IO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol.

Molecular Properties

Compound Name5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol
PubChem CID122499288
Molecular FormulaC11H17IO2
Molecular Weight308.16 g/mol
Exact Mass308.03
IUPAC Name5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol
SMILESOC1C2CC3CC1CC([C@H](O)I)(C3)C2
InChIInChI=1S/C11H17IO2/c12-10(14)11-3-6-1-7(4-11)9(13)8(2-6)5-11/h6-10,13-14H,1-5H2/t6?,7?,8?,9?,10-,11?/m0/s1
InChIKeyYQNZMHSPOGAOPH-FWDFMDSNSA-N
XLogP1.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol?
The IUPAC name of 5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol (CID 122499288) is 5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol.
What is the SMILES notation for 5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol?
The canonical SMILES for 5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol is OC1C2CC3CC1CC([C@H](O)I)(C3)C2.
What is the InChIKey of 5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol?
The InChIKey is YQNZMHSPOGAOPH-FWDFMDSNSA-N. The full InChI is InChI=1S/C11H17IO2/c12-10(14)11-3-6-1-7(4-11)9(13)8(2-6)5-11/h6-10,13-14H,1-5H2/t6?,7?,8?,9?,10-,11?/m0/s1.
What are the key properties of 5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol?
5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol has a molecular weight of 308.16 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-hydroxy(iodo)methyl]adamantan-2-ol is sourced from PubChem (CID 122499288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).