1-(methoxymethyl)adamantane

C12H20O — CID 14242275

IUPAC1-(methoxymethyl)adamantane
SMILESCOCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H20O/c1-13-8-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-8H2,1H3
InChIKeySLFNOWZHCOFXBK-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.85
Rot. Bonds2

About 1-(methoxymethyl)adamantane

1-(methoxymethyl)adamantane (PubChem CID 14242275) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(methoxymethyl)adamantane.

Molecular Properties

Compound Name1-(methoxymethyl)adamantane
PubChem CID14242275
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-(methoxymethyl)adamantane
SMILESCOCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H20O/c1-13-8-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-8H2,1H3
InChIKeySLFNOWZHCOFXBK-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)adamantane?
The IUPAC name of 1-(methoxymethyl)adamantane (CID 14242275) is 1-(methoxymethyl)adamantane.
What is the SMILES notation for 1-(methoxymethyl)adamantane?
The canonical SMILES for 1-(methoxymethyl)adamantane is COCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(methoxymethyl)adamantane?
The InChIKey is SLFNOWZHCOFXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-13-8-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-8H2,1H3.
What are the key properties of 1-(methoxymethyl)adamantane?
1-(methoxymethyl)adamantane has a molecular weight of 180.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)adamantane is sourced from PubChem (CID 14242275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).