3-tert-butyladamantan-1-ol

C14H24O — CID 59863856

IUPAC3-tert-butyladamantan-1-ol
SMILESCC(C)(C)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C14H24O/c1-12(2,3)13-5-10-4-11(6-13)8-14(15,7-10)9-13/h10-11,15H,4-9H2,1-3H3
InChIKeyQNJLHMWTJXQXQP-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.36
Rot. Bonds

About 3-tert-butyladamantan-1-ol

3-tert-butyladamantan-1-ol (PubChem CID 59863856) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3-tert-butyladamantan-1-ol.

Molecular Properties

Compound Name3-tert-butyladamantan-1-ol
PubChem CID59863856
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3-tert-butyladamantan-1-ol
SMILESCC(C)(C)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C14H24O/c1-12(2,3)13-5-10-4-11(6-13)8-14(15,7-10)9-13/h10-11,15H,4-9H2,1-3H3
InChIKeyQNJLHMWTJXQXQP-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyladamantan-1-ol?
The IUPAC name of 3-tert-butyladamantan-1-ol (CID 59863856) is 3-tert-butyladamantan-1-ol.
What is the SMILES notation for 3-tert-butyladamantan-1-ol?
The canonical SMILES for 3-tert-butyladamantan-1-ol is CC(C)(C)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-tert-butyladamantan-1-ol?
The InChIKey is QNJLHMWTJXQXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-12(2,3)13-5-10-4-11(6-13)8-14(15,7-10)9-13/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 3-tert-butyladamantan-1-ol?
3-tert-butyladamantan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyladamantan-1-ol is sourced from PubChem (CID 59863856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).