2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol

C10H20O3 — CID 57020694

IUPAC2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol
SMILESC[C@@H]1CC[C@H](C(CO)CO)[C@@H]1CO
InChIInChI=1S/C10H20O3/c1-7-2-3-9(10(7)6-13)8(4-11)5-12/h7-13H,2-6H2,1H3/t7-,9-,10-/m1/s1
InChIKeyWFMIZKFEUSTCRV-SZEHBUNVSA-N
MW188.27 g/mol
LogP0.24
Rot. Bonds4

About 2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol

2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol (PubChem CID 57020694) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol
PubChem CID57020694
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol
SMILESC[C@@H]1CC[C@H](C(CO)CO)[C@@H]1CO
InChIInChI=1S/C10H20O3/c1-7-2-3-9(10(7)6-13)8(4-11)5-12/h7-13H,2-6H2,1H3/t7-,9-,10-/m1/s1
InChIKeyWFMIZKFEUSTCRV-SZEHBUNVSA-N
XLogP0.24
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol
CID 162070129
[(1S,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methanol
CID 129321353
(2-methyl-5-prop-1-en-2-ylcyclopentyl)methanol
CID 12634580
2-(2-methyl-5-propan-2-ylcyclopentyl)acetic acid
CID 121221263
1-methyl-2-(5-methylhex-3-en-2-yl)cyclobutane
CID 123373776
3-amino-2-(2-methylcyclohexyl)propan-1-ol
CID 83977151
2-(oxiran-2-yl)propane-1,3-diol
CID 18506434
1-methyl-3-propan-2-yl-2-propylcyclopentane
CID 123480438
[(1S,2S,5S)-2-methyl-5-(3-trimethylsilylprop-1-en-2-yl)cyclopentyl]methanol
CID 134901073
2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane
CID 143896517
1-(2-methyl-5-propan-2-ylcyclohexyl)propane-1,3-diol
CID 175514226
2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
CID 140524939

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol?
The IUPAC name of 2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol (CID 57020694) is 2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol.
What is the SMILES notation for 2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol?
The canonical SMILES for 2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol is C[C@@H]1CC[C@H](C(CO)CO)[C@@H]1CO.
What is the InChIKey of 2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol?
The InChIKey is WFMIZKFEUSTCRV-SZEHBUNVSA-N. The full InChI is InChI=1S/C10H20O3/c1-7-2-3-9(10(7)6-13)8(4-11)5-12/h7-13H,2-6H2,1H3/t7-,9-,10-/m1/s1.
What are the key properties of 2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol?
2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol has a molecular weight of 188.27 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol is sourced from PubChem (CID 57020694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).