(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol

C8H16O2 — CID 58944578

IUPAC(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
SMILESC[C@@H]1C[C@@H](CO)[C@@](C)(O)C1
InChIInChI=1S/C8H16O2/c1-6-3-7(5-9)8(2,10)4-6/h6-7,9-10H,3-5H2,1-2H3/t6-,7+,8+/m1/s1
InChIKeyDQCRUJGMIYLQAK-CSMHCCOUSA-N
MW144.21 g/mol
LogP0.78
Rot. Bonds1

About (1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol

(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol (PubChem CID 58944578) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
PubChem CID58944578
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
SMILESC[C@@H]1C[C@@H](CO)[C@@](C)(O)C1
InChIInChI=1S/C8H16O2/c1-6-3-7(5-9)8(2,10)4-6/h6-7,9-10H,3-5H2,1-2H3/t6-,7+,8+/m1/s1
InChIKeyDQCRUJGMIYLQAK-CSMHCCOUSA-N
XLogP0.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol (CID 58944578) is (1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol is C[C@@H]1C[C@@H](CO)[C@@](C)(O)C1.
What is the InChIKey of (1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol?
The InChIKey is DQCRUJGMIYLQAK-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-3-7(5-9)8(2,10)4-6/h6-7,9-10H,3-5H2,1-2H3/t6-,7+,8+/m1/s1.
What are the key properties of (1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol?
(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol is sourced from PubChem (CID 58944578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).