6-(methoxymethyl)adamantane-1,3-diol

C12H20O3 — CID 70849397

IUPAC6-(methoxymethyl)adamantane-1,3-diol
SMILESCOCC1C2CC3(O)CC1CC(O)(C2)C3
InChIInChI=1S/C12H20O3/c1-15-6-10-8-2-11(13)4-9(10)5-12(14,3-8)7-11/h8-10,13-14H,2-7H2,1H3
InChIKeyVYUBANQEWTYMSB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.93
Rot. Bonds2

About 6-(methoxymethyl)adamantane-1,3-diol

6-(methoxymethyl)adamantane-1,3-diol (PubChem CID 70849397) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-(methoxymethyl)adamantane-1,3-diol.

Molecular Properties

Compound Name6-(methoxymethyl)adamantane-1,3-diol
PubChem CID70849397
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name6-(methoxymethyl)adamantane-1,3-diol
SMILESCOCC1C2CC3(O)CC1CC(O)(C2)C3
InChIInChI=1S/C12H20O3/c1-15-6-10-8-2-11(13)4-9(10)5-12(14,3-8)7-11/h8-10,13-14H,2-7H2,1H3
InChIKeyVYUBANQEWTYMSB-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)adamantane-1,3-diol?
The IUPAC name of 6-(methoxymethyl)adamantane-1,3-diol (CID 70849397) is 6-(methoxymethyl)adamantane-1,3-diol.
What is the SMILES notation for 6-(methoxymethyl)adamantane-1,3-diol?
The canonical SMILES for 6-(methoxymethyl)adamantane-1,3-diol is COCC1C2CC3(O)CC1CC(O)(C2)C3.
What is the InChIKey of 6-(methoxymethyl)adamantane-1,3-diol?
The InChIKey is VYUBANQEWTYMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-15-6-10-8-2-11(13)4-9(10)5-12(14,3-8)7-11/h8-10,13-14H,2-7H2,1H3.
What are the key properties of 6-(methoxymethyl)adamantane-1,3-diol?
6-(methoxymethyl)adamantane-1,3-diol has a molecular weight of 212.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)adamantane-1,3-diol is sourced from PubChem (CID 70849397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).