trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol

C8H16O2 — CID 101051826

IUPACtrans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol
SMILESCC1(C)[C@@H](O)CC[C@@]1(C)O
InChIInChI=1S/C8H16O2/c1-7(2)6(9)4-5-8(7,3)10/h6,9-10H,4-5H2,1-3H3/t6-,8+/m0/s1
InChIKeyULJUOSWQXFLRTK-POYBYMJQSA-N
MW144.21 g/mol
LogP0.92
Rot. Bonds

About trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol

trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol (PubChem CID 101051826) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol.

Molecular Properties

Compound Nametrans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol
PubChem CID101051826
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nametrans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol
SMILESCC1(C)[C@@H](O)CC[C@@]1(C)O
InChIInChI=1S/C8H16O2/c1-7(2)6(9)4-5-8(7,3)10/h6,9-10H,4-5H2,1-3H3/t6-,8+/m0/s1
InChIKeyULJUOSWQXFLRTK-POYBYMJQSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol?
The IUPAC name of trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol (CID 101051826) is trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol.
What is the SMILES notation for trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol?
The canonical SMILES for trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol is CC1(C)[C@@H](O)CC[C@@]1(C)O.
What is the InChIKey of trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol?
The InChIKey is ULJUOSWQXFLRTK-POYBYMJQSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)6(9)4-5-8(7,3)10/h6,9-10H,4-5H2,1-3H3/t6-,8+/m0/s1.
What are the key properties of trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol?
trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-diol is sourced from PubChem (CID 101051826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).