1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid

C11H20O6 — CID 20695746

IUPAC1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid
SMILESCOC1CC(OC)(C(=O)O)CC(OC)C1OC
InChIInChI=1S/C11H20O6/c1-14-7-5-11(17-4,10(12)13)6-8(15-2)9(7)16-3/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyOXZOKGVMIXHFLO-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.29
Rot. Bonds5

About 1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid

1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid (PubChem CID 20695746) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is 1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid
PubChem CID20695746
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid
SMILESCOC1CC(OC)(C(=O)O)CC(OC)C1OC
InChIInChI=1S/C11H20O6/c1-14-7-5-11(17-4,10(12)13)6-8(15-2)9(7)16-3/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyOXZOKGVMIXHFLO-UHFFFAOYSA-N
XLogP0.29
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(3R,5R)-3,4,5-trihydroxy-1-methoxycyclohexane-1-carboxylic acid
CID 130981169
trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid
CID 102274744
3-methoxythietane-3-carboxylic acid
CID 105429212
3,4,5-trimethoxycyclohexane-1-carboxylic acid
CID 18688040
1-methoxy-4,4-dimethylcyclohexane-1-carboxylic acid
CID 83225553
methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate
CID 178200449
3-(2-chloro-6-methylpyrimidin-4-yl)-1-methoxycyclobutane-1-carboxylic acid
CID 130422590
3-methoxy-1-methyl-4-nitrooxycyclopentane-1-carboxylic acid
CID 67396924
methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
CID 137347052
methyl 3,4,5-trimethoxycyclohexane-1-carboxylate
CID 121285425
3-amino-1-methoxycyclobutane-1-carboxamide
CID 142554999
cis-(1R,2S)-2-methoxycyclopropane-1-carboxylic acid
CID 14269839

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid?
The IUPAC name of 1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid (CID 20695746) is 1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid?
The canonical SMILES for 1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid is COC1CC(OC)(C(=O)O)CC(OC)C1OC.
What is the InChIKey of 1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid?
The InChIKey is OXZOKGVMIXHFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c1-14-7-5-11(17-4,10(12)13)6-8(15-2)9(7)16-3/h7-9H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid?
1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid has a molecular weight of 248.27 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethoxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 20695746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).