1-ethoxyadamantane

C12H20O — CID 12504766

IUPAC1-ethoxyadamantane
SMILESCCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H20O/c1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,2-8H2,1H3
InChIKeyRYWMVDCBIUZYLP-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.99
Rot. Bonds2

About 1-ethoxyadamantane

1-ethoxyadamantane (PubChem CID 12504766) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-ethoxyadamantane.

Molecular Properties

Compound Name1-ethoxyadamantane
PubChem CID12504766
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-ethoxyadamantane
SMILESCCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H20O/c1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,2-8H2,1H3
InChIKeyRYWMVDCBIUZYLP-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethoxyadamantane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methoxyadamantane
CID 584854
1-(2-Bromoethoxy)adamantane
CID 2379498
2-Methoxyadamantane
CID 140469
1-(1-Adamantyloxy)adamantane
CID 5149460
1-Ethynoxyadamantane
CID 13813111
1-(Methylsulfanylmethoxy)adamantane
CID 14911706
1-(2,2,3,3-Tetrafluoropropyloxy)adamantane
CID 129762182
1-(2,2,3,3,4,4,5,5-Octafluoropentyloxy)-adamantane
CID 129765899
1-Cyclohexyloxyadamantane
CID 146169132
1-Prop-2-ynyloxy-adamantane
CID 10420045
1-(Chloromethoxy)adamantane
CID 11095653
1-(Vinyloxy)adamantane
CID 11830003

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyadamantane?
The IUPAC name of 1-ethoxyadamantane (CID 12504766) is 1-ethoxyadamantane.
What is the SMILES notation for 1-ethoxyadamantane?
The canonical SMILES for 1-ethoxyadamantane is CCOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-ethoxyadamantane?
The InChIKey is RYWMVDCBIUZYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,2-8H2,1H3.
What are the key properties of 1-ethoxyadamantane?
1-ethoxyadamantane has a molecular weight of 180.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyadamantane is sourced from PubChem (CID 12504766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).