ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane

C13H28O3 — CID 144882385

IUPACethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane
SMILESCC.CC(=O)C1CCC(CO)CC1.COC
InChIInChI=1S/C9H16O2.C2H6O.C2H6/c1-7(11)9-4-2-8(6-10)3-5-9;1-3-2;1-2/h8-10H,2-6H2,1H3;1-2H3;1-2H3
InChIKeyKAUDRKSGMSANBP-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.66
Rot. Bonds2

About ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane

ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane (PubChem CID 144882385) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane.

Molecular Properties

Compound Nameethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane
PubChem CID144882385
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Nameethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane
SMILESCC.CC(=O)C1CCC(CO)CC1.COC
InChIInChI=1S/C9H16O2.C2H6O.C2H6/c1-7(11)9-4-2-8(6-10)3-5-9;1-3-2;1-2/h8-10H,2-6H2,1H3;1-2H3;1-2H3
InChIKeyKAUDRKSGMSANBP-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane 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-[3-(hydroxymethyl)cyclobutyl]ethanone
CID 158201402
4-(4-acetylcyclohexyl)butan-2-one
CID 58356027
4-(hydroxymethyl)-N-[(2R)-1-hydroxy-3-oxobutan-2-yl]cyclohexane-1-carboxamide
CID 174195480
1-(4-acetylcyclohexyl)-2-bromoethanone
CID 170239235
N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane
CID 176553120
ethane;methane;1-[4-(2-methylidenebutyl)cyclohexyl]ethanone
CID 144975347
[4-(ethylsulfonylmethyl)cyclohexyl]methanol;methane;methyl 4-(ethylsulfonylmethyl)cyclohexane-1-carboxylate
CID 167579871
1-(4-aminocyclohexyl)ethanone;hydrochloride
CID 66728623
[4-(methoxymethyl)cyclohexyl]methanol
CID 19938783
1-(4-pentylcyclohexyl)ethanone
CID 13278013
N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide
CID 143959726
1-(3-methoxycyclopentyl)ethanone
CID 140959253

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane?
The IUPAC name of ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane (CID 144882385) is ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane.
What is the SMILES notation for ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane?
The canonical SMILES for ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane is CC.CC(=O)C1CCC(CO)CC1.COC.
What is the InChIKey of ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane?
The InChIKey is KAUDRKSGMSANBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C2H6O.C2H6/c1-7(11)9-4-2-8(6-10)3-5-9;1-3-2;1-2/h8-10H,2-6H2,1H3;1-2H3;1-2H3.
What are the key properties of ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane?
ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane has a molecular weight of 232.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane is sourced from PubChem (CID 144882385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).