ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane

C12H22O5 — CID 162086947

IUPACethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane
SMILESC.CCOC(=O)C1CCC(OC(C)=O)C(O)C1
InChIInChI=1S/C11H18O5.CH4/c1-3-15-11(14)8-4-5-10(9(13)6-8)16-7(2)12;/h8-10,13H,3-6H2,1-2H3;1H4
InChIKeyZDCBOVUWORRMJD-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.28
Rot. Bonds3

About ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane

ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane (PubChem CID 162086947) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane.

Molecular Properties

Compound Nameethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane
PubChem CID162086947
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Nameethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane
SMILESC.CCOC(=O)C1CCC(OC(C)=O)C(O)C1
InChIInChI=1S/C11H18O5.CH4/c1-3-15-11(14)8-4-5-10(9(13)6-8)16-7(2)12;/h8-10,13H,3-6H2,1-2H3;1H4
InChIKeyZDCBOVUWORRMJD-UHFFFAOYSA-N
XLogP1.28
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane 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

ethyl 3,4-dihydroxycyclohexane-1-carboxylate
CID 134861534
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
(4-acetyloxy-3-hydroxycyclohexyl)methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 102522152
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084
trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate
CID 11423844
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
(3-acetyloxy-4-hydroxycyclohexyl)methyl 3-acetyloxy-4-hydroxycyclohexane-1-carboxylate
CID 101149917
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
trans-ethyl (1R,2R)-2-acetyloxycyclohexane-1-carboxylate
CID 101255181
cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 10607292
cis-ethyl (1R,3S)-3-formylcyclopentane-1-carboxylate
CID 10583280
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane?
The IUPAC name of ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane (CID 162086947) is ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane.
What is the SMILES notation for ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane?
The canonical SMILES for ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane is C.CCOC(=O)C1CCC(OC(C)=O)C(O)C1.
What is the InChIKey of ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane?
The InChIKey is ZDCBOVUWORRMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5.CH4/c1-3-15-11(14)8-4-5-10(9(13)6-8)16-7(2)12;/h8-10,13H,3-6H2,1-2H3;1H4.
What are the key properties of ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane?
ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane has a molecular weight of 246.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyloxy-3-hydroxycyclohexane-1-carboxylate;methane is sourced from PubChem (CID 162086947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).