1-(ethoxymethyl)-4-methylcubane

C12H16O — CID 175373545

IUPAC1-(ethoxymethyl)-4-methylcubane
SMILESCCOCC12C3C4C1C1C2C3C41C
InChIInChI=1S/C12H16O/c1-3-13-4-12-8-5-9(12)7-10(12)6(8)11(5,7)2/h5-10H,3-4H2,1-2H3
InChIKeyYCHAVYFZQCFAAX-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.78
Rot. Bonds3

About 1-(ethoxymethyl)-4-methylcubane

1-(ethoxymethyl)-4-methylcubane (PubChem CID 175373545) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4-methylcubane.

Molecular Properties

Compound Name1-(ethoxymethyl)-4-methylcubane
PubChem CID175373545
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-(ethoxymethyl)-4-methylcubane
SMILESCCOCC12C3C4C1C1C2C3C41C
InChIInChI=1S/C12H16O/c1-3-13-4-12-8-5-9(12)7-10(12)6(8)11(5,7)2/h5-10H,3-4H2,1-2H3
InChIKeyYCHAVYFZQCFAAX-UHFFFAOYSA-N
XLogP1.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(ethoxymethyl)-4-methylcubane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4-methylcubane?
The IUPAC name of 1-(ethoxymethyl)-4-methylcubane (CID 175373545) is 1-(ethoxymethyl)-4-methylcubane.
What is the SMILES notation for 1-(ethoxymethyl)-4-methylcubane?
The canonical SMILES for 1-(ethoxymethyl)-4-methylcubane is CCOCC12C3C4C1C1C2C3C41C.
What is the InChIKey of 1-(ethoxymethyl)-4-methylcubane?
The InChIKey is YCHAVYFZQCFAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-13-4-12-8-5-9(12)7-10(12)6(8)11(5,7)2/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-4-methylcubane?
1-(ethoxymethyl)-4-methylcubane has a molecular weight of 176.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4-methylcubane is sourced from PubChem (CID 175373545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).