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

C10H20O2 — CID 90365852

IUPAC(1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol
SMILESCC[C@H]1C[C@@H](C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H20O2/c1-4-7-5-8(6(2)3)10(12)9(7)11/h6-12H,4-5H2,1-3H3/t7-,8-,9+,10-/m0/s1
InChIKeyUGBFNNUKMGLHGO-QEYWKRMJSA-N
MW172.27 g/mol
LogP1.41
Rot. Bonds2

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

(1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol (PubChem CID 90365852) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol
PubChem CID90365852
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol
SMILESCC[C@H]1C[C@@H](C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H20O2/c1-4-7-5-8(6(2)3)10(12)9(7)11/h6-12H,4-5H2,1-3H3/t7-,8-,9+,10-/m0/s1
InChIKeyUGBFNNUKMGLHGO-QEYWKRMJSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol (CID 90365852) is (1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol is CC[C@H]1C[C@@H](C(C)C)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol?
The InChIKey is UGBFNNUKMGLHGO-QEYWKRMJSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-7-5-8(6(2)3)10(12)9(7)11/h6-12H,4-5H2,1-3H3/t7-,8-,9+,10-/m0/s1.
What are the key properties of (1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol?
(1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol has a molecular weight of 172.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,5S)-3-ethyl-5-propan-2-ylcyclopentane-1,2-diol is sourced from PubChem (CID 90365852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).