ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol

C12H26O3 — CID 71186530

IUPACethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol
SMILESCCOCC.OCC1CCC(CO)CC1
InChIInChI=1S/C8H16O2.C4H10O/c9-5-7-1-2-8(6-10)4-3-7;1-3-5-4-2/h7-10H,1-6H2;3-4H2,1-2H3
InChIKeyDNDZRVRFLXBORB-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.82
Rot. Bonds4

About ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol

ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol (PubChem CID 71186530) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Nameethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol
PubChem CID71186530
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Nameethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol
SMILESCCOCC.OCC1CCC(CO)CC1
InChIInChI=1S/C8H16O2.C4H10O/c9-5-7-1-2-8(6-10)4-3-7;1-3-5-4-2/h7-10H,1-6H2;3-4H2,1-2H3
InChIKeyDNDZRVRFLXBORB-UHFFFAOYSA-N
XLogP1.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol 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 ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol?
The IUPAC name of ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol (CID 71186530) is ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol.
What is the SMILES notation for ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol?
The canonical SMILES for ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol is CCOCC.OCC1CCC(CO)CC1.
What is the InChIKey of ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol?
The InChIKey is DNDZRVRFLXBORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C4H10O/c9-5-7-1-2-8(6-10)4-3-7;1-3-5-4-2/h7-10H,1-6H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol?
ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol has a molecular weight of 218.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 71186530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).