methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate

C12H22O6 — CID 91725778

IUPACmethyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate
SMILESCOC(=O)C1(OC)CC(OC)C(OC)C(OC)C1
InChIInChI=1S/C12H22O6/c1-14-8-6-12(18-5,11(13)17-4)7-9(15-2)10(8)16-3/h8-10H,6-7H2,1-5H3
InChIKeyLOCXZLDUCPQHSP-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.38
Rot. Bonds5

About methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate

methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate (PubChem CID 91725778) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate
PubChem CID91725778
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Namemethyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate
SMILESCOC(=O)C1(OC)CC(OC)C(OC)C(OC)C1
InChIInChI=1S/C12H22O6/c1-14-8-6-12(18-5,11(13)17-4)7-9(15-2)10(8)16-3/h8-10H,6-7H2,1-5H3
InChIKeyLOCXZLDUCPQHSP-UHFFFAOYSA-N
XLogP0.38
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate 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

Methyl (3R,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylate
CID 10932637
Quinic acid tetraacetate
CID 11473864
Methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
CID 14314247
Methyl 4-Hydroxy-1-methoxycyclohexanecarboxylate
CID 129073638
Trifluoromethyl 3,4,5-trimethoxycyclohexane-1-carboxylate
CID 54462913
Fluoro 3,4,5-trimethoxy-1-methylcyclohexane-1-carboxylate
CID 142637358
Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, tetraacetate, stereoisomer
CID 586779
Ypinfrcxovfbjm-shyzeuofsa-
CID 10702825
methyl (1R,2S,3R,4S,5R)-1,2,3,4,5-pentahydroxycyclohexane-1-carboxylate
CID 10987836
cis-methyl (3R,5S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
CID 11229503
Butyl quinate
CID 102195025
Quinoylmethyl acetate
CID 129652875

Frequently Asked Questions

What is the IUPAC name of methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate?
The IUPAC name of methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate (CID 91725778) is methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate?
The canonical SMILES for methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate is COC(=O)C1(OC)CC(OC)C(OC)C(OC)C1.
What is the InChIKey of methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate?
The InChIKey is LOCXZLDUCPQHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6/c1-14-8-6-12(18-5,11(13)17-4)7-9(15-2)10(8)16-3/h8-10H,6-7H2,1-5H3.
What are the key properties of methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate?
methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate has a molecular weight of 262.30 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate is sourced from PubChem (CID 91725778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).