(2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol

C12H24O5 — CID 90086835

IUPAC(2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol
SMILESCOC[C@H]1CC(C)(O)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C12H24O5/c1-12(13)6-8(7-14-2)9(15-3)10(16-4)11(12)17-5/h8-11,13H,6-7H2,1-5H3/t8-,9-,10+,11-,12?/m1/s1
InChIKeyUHPKRMNVYAFMCC-OZRWLHRGSA-N
MW248.32 g/mol
LogP0.45
Rot. Bonds5

About (2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol

(2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol (PubChem CID 90086835) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol
PubChem CID90086835
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name(2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol
SMILESCOC[C@H]1CC(C)(O)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C12H24O5/c1-12(13)6-8(7-14-2)9(15-3)10(16-4)11(12)17-5/h8-11,13H,6-7H2,1-5H3/t8-,9-,10+,11-,12?/m1/s1
InChIKeyUHPKRMNVYAFMCC-OZRWLHRGSA-N
XLogP0.45
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol
CID 178196610
trans-(1S,2R)-2-(methoxymethyl)cyclopropan-1-amine
CID 131115476
(1S,2R,6S,7S)-5-(methoxymethyl)-1,2-dimethyl-3-azatricyclo[4.1.0.02,7]heptane
CID 152824171
6-(methoxymethyl)adamantane-1,3-diol
CID 70849397
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
CID 71166951
(1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane
CID 163447568
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
CID 125028190
2,3-dimethoxy-6-(methoxymethyl)-5-methyloxan-4-ol
CID 76704011
cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane
CID 164821993
4-(methoxymethyl)cyclopentane-1,3-diol
CID 174518927
(2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane
CID 176646378
3,4-dimethoxy-1,1-dimethylcyclopentane
CID 58806283

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol?
The IUPAC name of (2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol (CID 90086835) is (2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol.
What is the SMILES notation for (2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol?
The canonical SMILES for (2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol is COC[C@H]1CC(C)(O)[C@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol?
The InChIKey is UHPKRMNVYAFMCC-OZRWLHRGSA-N. The full InChI is InChI=1S/C12H24O5/c1-12(13)6-8(7-14-2)9(15-3)10(16-4)11(12)17-5/h8-11,13H,6-7H2,1-5H3/t8-,9-,10+,11-,12?/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol?
(2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol has a molecular weight of 248.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)-1-methylcyclohexan-1-ol is sourced from PubChem (CID 90086835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).