5-ethyladamantane-1,3-diol

C12H20O2 — CID 3652070

IUPAC5-ethyladamantane-1,3-diol
SMILESCCC12CC3CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C12H20O2/c1-2-10-3-9-4-11(13,6-10)8-12(14,5-9)7-10/h9,13-14H,2-8H2,1H3
InChIKeyUBZYZZAIOTYCAB-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds1

About 5-ethyladamantane-1,3-diol

5-ethyladamantane-1,3-diol (PubChem CID 3652070) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-ethyladamantane-1,3-diol.

Molecular Properties

Compound Name5-ethyladamantane-1,3-diol
PubChem CID3652070
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-ethyladamantane-1,3-diol
SMILESCCC12CC3CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C12H20O2/c1-2-10-3-9-4-11(13,6-10)8-12(14,5-9)7-10/h9,13-14H,2-8H2,1H3
InChIKeyUBZYZZAIOTYCAB-UHFFFAOYSA-N
XLogP1.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Adamantanediol
CID 573829
3,5-Dimethyl-1-adamantanol
CID 265793
3,5,7-Trimethyladamantan-1-ol
CID 368330
5,7-Dimethyladamantane-1,3-diol
CID 580605
1,3,5-Adamantanetriol
CID 9899022
3-Ethyladamantan-1-ol
CID 3472936
3-Methyl-1-adamantanol
CID 4071557
3-Isopropyl-1-adamantanol
CID 14176969
5-Methyl-1,3-adamantanediol
CID 429306
2-[3-(2-Hydroxypropan-2-yl)-1-adamantyl]propan-2-ol
CID 4260717
3-Propyl-1-adamantanol
CID 591983
2,4-Di-t-butyladamantane-2,4-diol
CID 546662

Frequently Asked Questions

What is the IUPAC name of 5-ethyladamantane-1,3-diol?
The IUPAC name of 5-ethyladamantane-1,3-diol (CID 3652070) is 5-ethyladamantane-1,3-diol.
What is the SMILES notation for 5-ethyladamantane-1,3-diol?
The canonical SMILES for 5-ethyladamantane-1,3-diol is CCC12CC3CC(O)(CC(O)(C3)C1)C2.
What is the InChIKey of 5-ethyladamantane-1,3-diol?
The InChIKey is UBZYZZAIOTYCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-10-3-9-4-11(13,6-10)8-12(14,5-9)7-10/h9,13-14H,2-8H2,1H3.
What are the key properties of 5-ethyladamantane-1,3-diol?
5-ethyladamantane-1,3-diol has a molecular weight of 196.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyladamantane-1,3-diol is sourced from PubChem (CID 3652070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).