(2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol

C8H16O2 — CID 58230415

IUPAC(2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol
SMILESCC[C@H]1C[C@@H](C)C(O)[C@H]1O
InChIInChI=1S/C8H16O2/c1-3-6-4-5(2)7(9)8(6)10/h5-10H,3-4H2,1-2H3/t5-,6+,7?,8+/m1/s1
InChIKeyUETIBPVZOCQVSQ-CLTDUVIFSA-N
MW144.21 g/mol
LogP0.77
Rot. Bonds1

About (2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol

(2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol (PubChem CID 58230415) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol
PubChem CID58230415
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol
SMILESCC[C@H]1C[C@@H](C)C(O)[C@H]1O
InChIInChI=1S/C8H16O2/c1-3-6-4-5(2)7(9)8(6)10/h5-10H,3-4H2,1-2H3/t5-,6+,7?,8+/m1/s1
InChIKeyUETIBPVZOCQVSQ-CLTDUVIFSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol?
The IUPAC name of (2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol (CID 58230415) is (2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol.
What is the SMILES notation for (2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol?
The canonical SMILES for (2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol is CC[C@H]1C[C@@H](C)C(O)[C@H]1O.
What is the InChIKey of (2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol?
The InChIKey is UETIBPVZOCQVSQ-CLTDUVIFSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-6-4-5(2)7(9)8(6)10/h5-10H,3-4H2,1-2H3/t5-,6+,7?,8+/m1/s1.
What are the key properties of (2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol?
(2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol has a molecular weight of 144.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-3-ethyl-5-methylcyclopentane-1,2-diol is sourced from PubChem (CID 58230415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).