2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C12H22O — CID 118463335

IUPAC2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCOCC1CC2CCCCC2C1
InChIInChI=1S/C12H22O/c1-2-13-9-10-7-11-5-3-4-6-12(11)8-10/h10-12H,2-9H2,1H3
InChIKeyYERNONKFHKCVJC-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.24
Rot. Bonds3

About 2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 118463335) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID118463335
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCOCC1CC2CCCCC2C1
InChIInChI=1S/C12H22O/c1-2-13-9-10-7-11-5-3-4-6-12(11)8-10/h10-12H,2-9H2,1H3
InChIKeyYERNONKFHKCVJC-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene 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 2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 118463335) is 2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CCOCC1CC2CCCCC2C1.
What is the InChIKey of 2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is YERNONKFHKCVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-13-9-10-7-11-5-3-4-6-12(11)8-10/h10-12H,2-9H2,1H3.
What are the key properties of 2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 182.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 118463335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).