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

C15H28O3 — CID 14336612

IUPAC(1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol
SMILESC[C@H]1[C@H]([C@@]2(C)CC[C@H](C(C)(C)O)O2)CC[C@@]1(C)O
InChIInChI=1S/C15H28O3/c1-10-11(6-8-14(10,4)17)15(5)9-7-12(18-15)13(2,3)16/h10-12,16-17H,6-9H2,1-5H3/t10-,11+,12+,14+,15+/m0/s1
InChIKeyCTTSYRDQSMAGNT-PGKPSXLWSA-N
MW256.39 g/mol
LogP2.49
Rot. Bonds2

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

(1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol (PubChem CID 14336612) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol
PubChem CID14336612
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol
SMILESC[C@H]1[C@H]([C@@]2(C)CC[C@H](C(C)(C)O)O2)CC[C@@]1(C)O
InChIInChI=1S/C15H28O3/c1-10-11(6-8-14(10,4)17)15(5)9-7-12(18-15)13(2,3)16/h10-12,16-17H,6-9H2,1-5H3/t10-,11+,12+,14+,15+/m0/s1
InChIKeyCTTSYRDQSMAGNT-PGKPSXLWSA-N
XLogP2.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(1R,2R,3S,6R,7R,8S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-3,8-diol
CID 101621382
7alpha,10alpha-Epoxyguaiane-4alpha,11-diol
CID 102519761
Cyclocerberidol
CID 14466834
Cyclonerodiol oxide
CID 54753974
Orientalol E
CID 637282
(1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol
CID 25001994
1,5-Dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-5,7-diol
CID 78200744
(1S,4R,7R)-1-(2-hydroxyethyl)-7-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol
CID 92471950
7,10-Epoxycycloneran-3,11,12-triol
CID 139590990
Cyclonerodiol B
CID 139591330
Cycloneran-3,7,10,11-tetraol
CID 146682954
7,10S-epoxycycloneran-3,15-diol
CID 146682957

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of (1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol (CID 14336612) is (1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for (1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol is C[C@H]1[C@H]([C@@]2(C)CC[C@H](C(C)(C)O)O2)CC[C@@]1(C)O.
What is the InChIKey of (1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol?
The InChIKey is CTTSYRDQSMAGNT-PGKPSXLWSA-N. The full InChI is InChI=1S/C15H28O3/c1-10-11(6-8-14(10,4)17)15(5)9-7-12(18-15)13(2,3)16/h10-12,16-17H,6-9H2,1-5H3/t10-,11+,12+,14+,15+/m0/s1.
What are the key properties of (1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol?
(1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 2.49, 2 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,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 14336612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).