(1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol

C15H28O3 — CID 146682957

IUPAC(1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol
SMILESCC(CO)[C@@H]1CC[C@](C)([C@@H]2CC[C@@](C)(O)[C@H]2C)O1
InChIInChI=1S/C15H28O3/c1-10(9-16)13-6-8-15(4,18-13)12-5-7-14(3,17)11(12)2/h10-13,16-17H,5-9H2,1-4H3/t10?,11-,12+,13-,14+,15+/m0/s1
InChIKeyIDIUHYKDNPPJQT-JKMBVOABSA-N
MW256.39 g/mol
LogP2.35
Rot. Bonds3

About (1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol

(1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol (PubChem CID 146682957) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol
PubChem CID146682957
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol
SMILESCC(CO)[C@@H]1CC[C@](C)([C@@H]2CC[C@@](C)(O)[C@H]2C)O1
InChIInChI=1S/C15H28O3/c1-10(9-16)13-6-8-15(4,18-13)12-5-7-14(3,17)11(12)2/h10-13,16-17H,5-9H2,1-4H3/t10?,11-,12+,13-,14+,15+/m0/s1
InChIKeyIDIUHYKDNPPJQT-JKMBVOABSA-N
XLogP2.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of (1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol (CID 146682957) is (1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for (1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol is CC(CO)[C@@H]1CC[C@](C)([C@@H]2CC[C@@](C)(O)[C@H]2C)O1.
What is the InChIKey of (1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol?
The InChIKey is IDIUHYKDNPPJQT-JKMBVOABSA-N. The full InChI is InChI=1S/C15H28O3/c1-10(9-16)13-6-8-15(4,18-13)12-5-7-14(3,17)11(12)2/h10-13,16-17H,5-9H2,1-4H3/t10?,11-,12+,13-,14+,15+/m0/s1.
What are the key properties of (1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol?
(1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 146682957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).