1-(2-methoxyethyl)adamantane

C13H22O — CID 58265203

IUPAC1-(2-methoxyethyl)adamantane
SMILESCOCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H22O/c1-14-3-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,2-9H2,1H3
InChIKeyCTGQJTHNOHOMFU-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.24
Rot. Bonds3

About 1-(2-methoxyethyl)adamantane

1-(2-methoxyethyl)adamantane (PubChem CID 58265203) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)adamantane.

Molecular Properties

Compound Name1-(2-methoxyethyl)adamantane
PubChem CID58265203
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-(2-methoxyethyl)adamantane
SMILESCOCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H22O/c1-14-3-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,2-9H2,1H3
InChIKeyCTGQJTHNOHOMFU-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)adamantane?
The IUPAC name of 1-(2-methoxyethyl)adamantane (CID 58265203) is 1-(2-methoxyethyl)adamantane.
What is the SMILES notation for 1-(2-methoxyethyl)adamantane?
The canonical SMILES for 1-(2-methoxyethyl)adamantane is COCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(2-methoxyethyl)adamantane?
The InChIKey is CTGQJTHNOHOMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-14-3-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,2-9H2,1H3.
What are the key properties of 1-(2-methoxyethyl)adamantane?
1-(2-methoxyethyl)adamantane has a molecular weight of 194.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)adamantane is sourced from PubChem (CID 58265203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).