(4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol

C12H24O3 — CID 146682956

IUPAC(4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol
SMILESC[C@H]1[C@H]([C@](C)(O)CCCO)CC[C@@]1(C)O
InChIInChI=1S/C12H24O3/c1-9-10(5-7-11(9,2)14)12(3,15)6-4-8-13/h9-10,13-15H,4-8H2,1-3H3/t9-,10+,11+,12+/m0/s1
InChIKeyCCHPHKACMUNORI-IRCOFANPSA-N
MW216.32 g/mol
LogP1.31
Rot. Bonds4

About (4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol

(4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol (PubChem CID 146682956) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol.

Molecular Properties

Compound Name(4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol
PubChem CID146682956
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol
SMILESC[C@H]1[C@H]([C@](C)(O)CCCO)CC[C@@]1(C)O
InChIInChI=1S/C12H24O3/c1-9-10(5-7-11(9,2)14)12(3,15)6-4-8-13/h9-10,13-15H,4-8H2,1-3H3/t9-,10+,11+,12+/m0/s1
InChIKeyCCHPHKACMUNORI-IRCOFANPSA-N
XLogP1.31
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol?
The IUPAC name of (4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol (CID 146682956) is (4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol.
What is the SMILES notation for (4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol?
The canonical SMILES for (4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol is C[C@H]1[C@H]([C@](C)(O)CCCO)CC[C@@]1(C)O.
What is the InChIKey of (4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol?
The InChIKey is CCHPHKACMUNORI-IRCOFANPSA-N. The full InChI is InChI=1S/C12H24O3/c1-9-10(5-7-11(9,2)14)12(3,15)6-4-8-13/h9-10,13-15H,4-8H2,1-3H3/t9-,10+,11+,12+/m0/s1.
What are the key properties of (4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol?
(4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol has a molecular weight of 216.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pentane-1,4-diol is sourced from PubChem (CID 146682956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).