trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol

C6H12O2 — CID 45098984

IUPACtrans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C6H12O2/c7-4-5-1-2-6(8)3-5/h5-8H,1-4H2/t5-,6-/m1/s1
InChIKeyZBAXTIFHKIGLEJ-PHDIDXHHSA-N
MW116.16 g/mol
LogP0.14
Rot. Bonds1

About trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol

trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 45098984) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol
PubChem CID45098984
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Nametrans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C6H12O2/c7-4-5-1-2-6(8)3-5/h5-8H,1-4H2/t5-,6-/m1/s1
InChIKeyZBAXTIFHKIGLEJ-PHDIDXHHSA-N
XLogP0.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol (CID 45098984) is trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol is OC[C@@H]1CC[C@@H](O)C1.
What is the InChIKey of trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is ZBAXTIFHKIGLEJ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12O2/c7-4-5-1-2-6(8)3-5/h5-8H,1-4H2/t5-,6-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol?
trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 116.16 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 45098984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).