2-(dibromomethyl)adamantan-2-ol

C11H16Br2O — CID 14961893

IUPAC2-(dibromomethyl)adamantan-2-ol
SMILESOC1(C(Br)Br)C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H16Br2O/c12-10(13)11(14)8-2-6-1-7(4-8)5-9(11)3-6/h6-10,14H,1-5H2
InChIKeyFQYGZHRTJSMFPD-UHFFFAOYSA-N
MW324.06 g/mol
LogP3.29
Rot. Bonds1

About 2-(dibromomethyl)adamantan-2-ol

2-(dibromomethyl)adamantan-2-ol (PubChem CID 14961893) has the molecular formula C11H16Br2O and a molecular weight of 324.06 g/mol. Its IUPAC name is 2-(dibromomethyl)adamantan-2-ol.

Molecular Properties

Compound Name2-(dibromomethyl)adamantan-2-ol
PubChem CID14961893
Molecular FormulaC11H16Br2O
Molecular Weight324.06 g/mol
Exact Mass321.96
IUPAC Name2-(dibromomethyl)adamantan-2-ol
SMILESOC1(C(Br)Br)C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H16Br2O/c12-10(13)11(14)8-2-6-1-7(4-8)5-9(11)3-6/h6-10,14H,1-5H2
InChIKeyFQYGZHRTJSMFPD-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.06
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-di(propan-2-yl)adamantane-2,4-diol
CID 139814580
2-(2-hydroxy-2-adamantyl)-N,N-dimethylpropanethioamide
CID 4645489
2-(2-hydroxy-2-adamantyl)-2-piperidin-1-ylacetic acid
CID 23008832
adamantane;hydrogen peroxide
CID 159706724
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
2,2-dimethyladamantane;ethane
CID 91483373
2-[(propan-2-ylamino)methyl]adamantan-2-ol
CID 62774121
2-ethyladamantan-2-ol;2-propan-2-yladamantan-2-ol;prop-2-enoic acid
CID 174905992
2-(2-hydroxy-2-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 22250556
2-ethyl-2-methyladamantane
CID 21349236
2-(3-hydroxypropyl)adamantan-2-ol
CID 14913337
(2-propan-2-yl-2-adamantyl) 2-methylbut-2-enoate
CID 162348120

Frequently Asked Questions

What is the IUPAC name of 2-(dibromomethyl)adamantan-2-ol?
The IUPAC name of 2-(dibromomethyl)adamantan-2-ol (CID 14961893) is 2-(dibromomethyl)adamantan-2-ol.
What is the SMILES notation for 2-(dibromomethyl)adamantan-2-ol?
The canonical SMILES for 2-(dibromomethyl)adamantan-2-ol is OC1(C(Br)Br)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(dibromomethyl)adamantan-2-ol?
The InChIKey is FQYGZHRTJSMFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2O/c12-10(13)11(14)8-2-6-1-7(4-8)5-9(11)3-6/h6-10,14H,1-5H2.
What are the key properties of 2-(dibromomethyl)adamantan-2-ol?
2-(dibromomethyl)adamantan-2-ol has a molecular weight of 324.06 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromomethyl)adamantan-2-ol is sourced from PubChem (CID 14961893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).