2-(methoxymethyl)adamantane

C12H20O — CID 69228959

IUPAC2-(methoxymethyl)adamantane
SMILESCOCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H20O/c1-13-7-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-7H2,1H3
InChIKeyNOHFLHFEYKODIE-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.71
Rot. Bonds2

About 2-(methoxymethyl)adamantane

2-(methoxymethyl)adamantane (PubChem CID 69228959) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(methoxymethyl)adamantane.

Molecular Properties

Compound Name2-(methoxymethyl)adamantane
PubChem CID69228959
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-(methoxymethyl)adamantane
SMILESCOCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H20O/c1-13-7-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-7H2,1H3
InChIKeyNOHFLHFEYKODIE-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methoxyadamantane
CID 584854
Spiro[adamantane-2,2'-oxirane]
CID 303804
2-Adamantanemethanol
CID 13291731
2-(Ethoxymethyl)-5-methyl-7-(1-methylethyl)bicyclo(2.2.2)octane
CID 53249758
1-Ethoxy-adamantane
CID 12504766
Adamantan-1-ylmethyl methyl ether
CID 14242275
1-(Adamantan-1-yloxy)pentane
CID 66992851
2-(4-Hydroxybutyl)adamantane
CID 129795276
4-(2,2-Difluoropropoxymethyl)-1-methyladamantane
CID 58185979
2-(Adamantan-2-yl)ethan-1-ol
CID 15359283
4a-Methyl-1e-hydroxymethyladamantane
CID 91748931
Tetracyclo[5.3.1.1(2,6).0(4,9)]dodecane, 11-methoxy-
CID 594734

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)adamantane?
The IUPAC name of 2-(methoxymethyl)adamantane (CID 69228959) is 2-(methoxymethyl)adamantane.
What is the SMILES notation for 2-(methoxymethyl)adamantane?
The canonical SMILES for 2-(methoxymethyl)adamantane is COCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(methoxymethyl)adamantane?
The InChIKey is NOHFLHFEYKODIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-13-7-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-7H2,1H3.
What are the key properties of 2-(methoxymethyl)adamantane?
2-(methoxymethyl)adamantane has a molecular weight of 180.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)adamantane is sourced from PubChem (CID 69228959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).