(1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol

C7H14O3 — CID 54195839

IUPAC(1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol
SMILESC[C@H]1C[C@H](O)[C@@](O)(CO)C1
InChIInChI=1S/C7H14O3/c1-5-2-6(9)7(10,3-5)4-8/h5-6,8-10H,2-4H2,1H3/t5-,6-,7-/m0/s1
InChIKeyPLSMDRXNDBHTAE-ACZMJKKPSA-N
MW146.19 g/mol
LogP-0.50
Rot. Bonds1

About (1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol

(1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol (PubChem CID 54195839) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol
PubChem CID54195839
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol
SMILESC[C@H]1C[C@H](O)[C@@](O)(CO)C1
InChIInChI=1S/C7H14O3/c1-5-2-6(9)7(10,3-5)4-8/h5-6,8-10H,2-4H2,1H3/t5-,6-,7-/m0/s1
InChIKeyPLSMDRXNDBHTAE-ACZMJKKPSA-N
XLogP-0.50
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(1,2-dihydroxy-4-methylcyclopentyl)methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 23390088
[[(1,2-dihydroxy-4-methylcyclopentyl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 23390087
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
CID 58944578
3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 64737726
(1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol
CID 54199383
(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 58502500
3,5-bis(hydroxymethyl)-2-methylthiolan-3-ol
CID 91562051
(1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol
CID 130831750
(1-fluoro-3-methylcyclobutyl)methanol
CID 176834219
3-methylbicyclo[3.1.1]heptan-1-ol
CID 67034776
1-(2-hydroxyethyl)-2-methylcyclopropan-1-ol
CID 56622517

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol?
The IUPAC name of (1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol (CID 54195839) is (1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol is C[C@H]1C[C@H](O)[C@@](O)(CO)C1.
What is the InChIKey of (1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol?
The InChIKey is PLSMDRXNDBHTAE-ACZMJKKPSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-2-6(9)7(10,3-5)4-8/h5-6,8-10H,2-4H2,1H3/t5-,6-,7-/m0/s1.
What are the key properties of (1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol?
(1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol has a molecular weight of 146.19 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol is sourced from PubChem (CID 54195839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).