1-ethoxy-4-methyladamantane

C13H22O — CID 141189891

IUPAC1-ethoxy-4-methyladamantane
SMILESCCOC12CC3CC(C1)C(C)C(C3)C2
InChIInChI=1S/C13H22O/c1-3-14-13-6-10-4-11(7-13)9(2)12(5-10)8-13/h9-12H,3-8H2,1-2H3
InChIKeyMXVXAAMROIJAQM-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.24
Rot. Bonds2

About 1-ethoxy-4-methyladamantane

1-ethoxy-4-methyladamantane (PubChem CID 141189891) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-ethoxy-4-methyladamantane.

Molecular Properties

Compound Name1-ethoxy-4-methyladamantane
PubChem CID141189891
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-ethoxy-4-methyladamantane
SMILESCCOC12CC3CC(C1)C(C)C(C3)C2
InChIInChI=1S/C13H22O/c1-3-14-13-6-10-4-11(7-13)9(2)12(5-10)8-13/h9-12H,3-8H2,1-2H3
InChIKeyMXVXAAMROIJAQM-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

methoxyethane;2-methyladamantane
CID 174817324
5-ethoxyadamantane-1,3-diol
CID 71086173
1,4-dimethyladamantane;1,3-dimethylbicyclo[1.1.1]pentane;1,4-dimethylcyclohexane;propane
CID 160599384
5-(2-methylsulfonylethoxy)adamantan-2-amine
CID 68518242
1-(butoxymethoxy)adamantane
CID 11310968
1-ethyl-2,4-dimethyladamantane
CID 90877999
5-methoxyadamantan-2-amine
CID 59574132
4-methyladamantane-1-carbonitrile
CID 58391790
(1S,3S)-5-methoxyadamantan-2-amine
CID 99645706
3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane
CID 147477215
[(3R,5S)-4-ethyl-1-adamantyl] nitrate
CID 177428268
methyl 2-[(4-acetyloxy-1-adamantyl)oxy]acetate
CID 67124993

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methyladamantane?
The IUPAC name of 1-ethoxy-4-methyladamantane (CID 141189891) is 1-ethoxy-4-methyladamantane.
What is the SMILES notation for 1-ethoxy-4-methyladamantane?
The canonical SMILES for 1-ethoxy-4-methyladamantane is CCOC12CC3CC(C1)C(C)C(C3)C2.
What is the InChIKey of 1-ethoxy-4-methyladamantane?
The InChIKey is MXVXAAMROIJAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-14-13-6-10-4-11(7-13)9(2)12(5-10)8-13/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-ethoxy-4-methyladamantane?
1-ethoxy-4-methyladamantane has a molecular weight of 194.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methyladamantane is sourced from PubChem (CID 141189891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).