5-ethoxyadamantane-1,3-diol

C12H20O3 — CID 71086173

IUPAC5-ethoxyadamantane-1,3-diol
SMILESCCOC12CC3CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C12H20O3/c1-2-15-12-5-9-3-10(13,7-12)6-11(14,4-9)8-12/h9,13-14H,2-8H2,1H3
InChIKeyNALBXJUTROBKAS-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.22
Rot. Bonds2

About 5-ethoxyadamantane-1,3-diol

5-ethoxyadamantane-1,3-diol (PubChem CID 71086173) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-ethoxyadamantane-1,3-diol.

Molecular Properties

Compound Name5-ethoxyadamantane-1,3-diol
PubChem CID71086173
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name5-ethoxyadamantane-1,3-diol
SMILESCCOC12CC3CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C12H20O3/c1-2-15-12-5-9-3-10(13,7-12)6-11(14,4-9)8-12/h9,13-14H,2-8H2,1H3
InChIKeyNALBXJUTROBKAS-UHFFFAOYSA-N
XLogP1.22
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Adamantanediol
CID 573829
5,7-Dimethyladamantane-1,3-diol
CID 580605
1,3,5-Adamantanetriol
CID 9899022
5-Methyl-1,3-adamantanediol
CID 429306
5-Ethyladamantane-1,3-diol
CID 3652070
1,3,5,7-Tetrahydroxyadamantane
CID 820093
3-(1-Adamantyloxy)propan-1-ol
CID 12966779
1,3-Dimethoxyadamantane
CID 19609737
7-Ethyl-1,3,5-adamantanetriol
CID 23113234
2-Oxaadamantan-5-ol
CID 59053799
6-(2,2-Difluoropropoxymethyl)-3-methoxyadamantan-1-ol
CID 58185954
3-(2,2-Difluoroethoxymethyl)-5-methoxyadamantan-1-ol
CID 58225771

Frequently Asked Questions

What is the IUPAC name of 5-ethoxyadamantane-1,3-diol?
The IUPAC name of 5-ethoxyadamantane-1,3-diol (CID 71086173) is 5-ethoxyadamantane-1,3-diol.
What is the SMILES notation for 5-ethoxyadamantane-1,3-diol?
The canonical SMILES for 5-ethoxyadamantane-1,3-diol is CCOC12CC3CC(O)(CC(O)(C3)C1)C2.
What is the InChIKey of 5-ethoxyadamantane-1,3-diol?
The InChIKey is NALBXJUTROBKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-15-12-5-9-3-10(13,7-12)6-11(14,4-9)8-12/h9,13-14H,2-8H2,1H3.
What are the key properties of 5-ethoxyadamantane-1,3-diol?
5-ethoxyadamantane-1,3-diol has a molecular weight of 212.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxyadamantane-1,3-diol is sourced from PubChem (CID 71086173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).