(2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol

C11H22O3 — CID 59202690

IUPAC(2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
SMILESCC[C@H]1C[C@@H](OC(C)(C)C)C(O)[C@H]1O
InChIInChI=1S/C11H22O3/c1-5-7-6-8(10(13)9(7)12)14-11(2,3)4/h7-10,12-13H,5-6H2,1-4H3/t7-,8+,9-,10?/m0/s1
InChIKeySEBICSQQMQTQRV-GFMAATOTSA-N
MW202.29 g/mol
LogP1.32
Rot. Bonds2

About (2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol

(2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol (PubChem CID 59202690) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
PubChem CID59202690
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
SMILESCC[C@H]1C[C@@H](OC(C)(C)C)C(O)[C@H]1O
InChIInChI=1S/C11H22O3/c1-5-7-6-8(10(13)9(7)12)14-11(2,3)4/h7-10,12-13H,5-6H2,1-4H3/t7-,8+,9-,10?/m0/s1
InChIKeySEBICSQQMQTQRV-GFMAATOTSA-N
XLogP1.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol?
The IUPAC name of (2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol (CID 59202690) is (2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol.
What is the SMILES notation for (2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol?
The canonical SMILES for (2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol is CC[C@H]1C[C@@H](OC(C)(C)C)C(O)[C@H]1O.
What is the InChIKey of (2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol?
The InChIKey is SEBICSQQMQTQRV-GFMAATOTSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-7-6-8(10(13)9(7)12)14-11(2,3)4/h7-10,12-13H,5-6H2,1-4H3/t7-,8+,9-,10?/m0/s1.
What are the key properties of (2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol?
(2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol has a molecular weight of 202.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-3-ethyl-5-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol is sourced from PubChem (CID 59202690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).