(1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol

C11H22O2 — CID 90365862

IUPAC(1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
SMILESCC(C)[C@H]1C[C@@H](C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22O2/c1-6(2)8-5-9(7(3)4)11(13)10(8)12/h6-13H,5H2,1-4H3/t8-,9+,10-,11+
InChIKeyVLWBZBQCKWKTIZ-DTIDVZRVSA-N
MW186.29 g/mol
LogP1.66
Rot. Bonds2

About (1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol

(1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol (PubChem CID 90365862) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
PubChem CID90365862
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
SMILESCC(C)[C@H]1C[C@@H](C(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22O2/c1-6(2)8-5-9(7(3)4)11(13)10(8)12/h6-13H,5H2,1-4H3/t8-,9+,10-,11+
InChIKeyVLWBZBQCKWKTIZ-DTIDVZRVSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol (CID 90365862) is (1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol is CC(C)[C@H]1C[C@@H](C(C)C)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
The InChIKey is VLWBZBQCKWKTIZ-DTIDVZRVSA-N. The full InChI is InChI=1S/C11H22O2/c1-6(2)8-5-9(7(3)4)11(13)10(8)12/h6-13H,5H2,1-4H3/t8-,9+,10-,11+.
What are the key properties of (1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
(1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol has a molecular weight of 186.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol is sourced from PubChem (CID 90365862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).