(1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol

C8H16O4 — CID 100924891

IUPAC(1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol
SMILESCO[C@H]1[C@H](O)[C@H](O)[C@@H](O)C1(C)C
InChIInChI=1S/C8H16O4/c1-8(2)6(11)4(9)5(10)7(8)12-3/h4-7,9-11H,1-3H3/t4-,5+,6+,7-/m0/s1
InChIKeyKJTQMFVCTMAIES-WNJXEPBRSA-N
MW176.21 g/mol
LogP-0.88
Rot. Bonds1

About (1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol

(1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol (PubChem CID 100924891) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol
PubChem CID100924891
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol
SMILESCO[C@H]1[C@H](O)[C@H](O)[C@@H](O)C1(C)C
InChIInChI=1S/C8H16O4/c1-8(2)6(11)4(9)5(10)7(8)12-3/h4-7,9-11H,1-3H3/t4-,5+,6+,7-/m0/s1
InChIKeyKJTQMFVCTMAIES-WNJXEPBRSA-N
XLogP-0.88
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate
CID 11830916
(3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol
CID 174689422
(3S,4S,5R)-6,6-dimethyloxane-2,3,4,5-tetrol
CID 130978122
(3R)-3-methoxy-4,4-dimethyloxolan-2-ol
CID 45082816
3,4-dimethoxy-1,1-dimethylcyclopentane
CID 58806283
(1S,2S,3R,4R,5S,6R)-7,7-dimethylbicyclo[4.1.0]heptane-1,2,3,4,5,6-hexol
CID 54385755
5-(hydroxymethyl)-5-iodo-4-methoxycyclohexane-1,2,3-triol
CID 122597346
4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol
CID 20821698
(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine
CID 97102443
3-aminooxy-2,2,4,4-tetramethylcyclobutan-1-ol
CID 122495042
2-(2-chloropropyl)-5-methoxy-6-methyl-6-methylsulfanyloxane-3,4-diol
CID 123736889
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol?
The IUPAC name of (1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol (CID 100924891) is (1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol.
What is the SMILES notation for (1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol?
The canonical SMILES for (1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol is CO[C@H]1[C@H](O)[C@H](O)[C@@H](O)C1(C)C.
What is the InChIKey of (1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol?
The InChIKey is KJTQMFVCTMAIES-WNJXEPBRSA-N. The full InChI is InChI=1S/C8H16O4/c1-8(2)6(11)4(9)5(10)7(8)12-3/h4-7,9-11H,1-3H3/t4-,5+,6+,7-/m0/s1.
What are the key properties of (1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol?
(1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol has a molecular weight of 176.21 g/mol, XLogP of -0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol is sourced from PubChem (CID 100924891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).