(1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol

C9H18O3 — CID 53483796

IUPAC(1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
SMILESC[C@]1(O)CC[C@H](CCO)[C@@H]1CO
InChIInChI=1S/C9H18O3/c1-9(12)4-2-7(3-5-10)8(9)6-11/h7-8,10-12H,2-6H2,1H3/t7-,8+,9+/m1/s1
InChIKeyMFNWXGSFLDKZTF-VGMNWLOBSA-N
MW174.24 g/mol
LogP0.14
Rot. Bonds3

About (1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol

(1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol (PubChem CID 53483796) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
PubChem CID53483796
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
SMILESC[C@]1(O)CC[C@H](CCO)[C@@H]1CO
InChIInChI=1S/C9H18O3/c1-9(12)4-2-7(3-5-10)8(9)6-11/h7-8,10-12H,2-6H2,1H3/t7-,8+,9+/m1/s1
InChIKeyMFNWXGSFLDKZTF-VGMNWLOBSA-N
XLogP0.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol
CID 131855256
(3S,3aS,4R,7S,7aS)-7-bromo-3-(hydroxymethyl)-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
CID 23247389
2-[(8R,9R)-9-pent-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol
CID 90741490
acetic acid;2-[(8S,9S)-9-prop-2-ynyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol
CID 71384523
1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol
CID 86129641
(1R,2R,4aS,8aS)-1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 11107904
2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol
CID 121221918
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
1,7-bis(hydroxymethyl)-1,4-dimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
CID 163064866
2-[(2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanol
CID 140535686
(2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 155460534
[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol?
The IUPAC name of (1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol (CID 53483796) is (1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol?
The canonical SMILES for (1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol is C[C@]1(O)CC[C@H](CCO)[C@@H]1CO.
What is the InChIKey of (1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol?
The InChIKey is MFNWXGSFLDKZTF-VGMNWLOBSA-N. The full InChI is InChI=1S/C9H18O3/c1-9(12)4-2-7(3-5-10)8(9)6-11/h7-8,10-12H,2-6H2,1H3/t7-,8+,9+/m1/s1.
What are the key properties of (1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol?
(1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol is sourced from PubChem (CID 53483796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).