[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol

C7H14O2 — CID 171816838

IUPAC[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol
SMILESC[C@@H]1C[C@@H](CO)[C@H](C)O1
InChIInChI=1S/C7H14O2/c1-5-3-7(4-8)6(2)9-5/h5-8H,3-4H2,1-2H3/t5-,6+,7+/m1/s1
InChIKeyYVZAFNZQJIPGHR-VQVTYTSYSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds1

About [(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol

[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol (PubChem CID 171816838) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is [(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol
PubChem CID171816838
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol
SMILESC[C@@H]1C[C@@H](CO)[C@H](C)O1
InChIInChI=1S/C7H14O2/c1-5-3-7(4-8)6(2)9-5/h5-8H,3-4H2,1-2H3/t5-,6+,7+/m1/s1
InChIKeyYVZAFNZQJIPGHR-VQVTYTSYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Methyloxolan-3-yl)methanol
CID 15278170
Tetrahydro-5,5-dimethyl-3-furanmethanol
CID 15365931
(2-Methyloxolan-3-yl)methanol
CID 13487335
2-(Oxolan-3-yl)propan-2-ol
CID 57470139
1-(Oxolan-3-yl)ethan-1-ol
CID 59594973
(1S)-1-(oxolan-3-yl)ethan-1-ol
CID 65329030
(1R)-1-(oxolan-3-yl)ethan-1-ol
CID 73994809
(2,2-Dimethyloxolan-3-yl)methanol
CID 121606005
2-(3-Methyloxolan-2-yl)ethan-1-ol
CID 137935848
2-(2-Methyltetrahydrofuran-2-yl)ethanol
CID 86111345
(1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol
CID 163818209
(S)-(5,5-Dimethyltetrahydrofuran-3-yl)methanol
CID 10796767

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol?
The IUPAC name of [(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol (CID 171816838) is [(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol.
What is the SMILES notation for [(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol?
The canonical SMILES for [(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol is C[C@@H]1C[C@@H](CO)[C@H](C)O1.
What is the InChIKey of [(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol?
The InChIKey is YVZAFNZQJIPGHR-VQVTYTSYSA-N. The full InChI is InChI=1S/C7H14O2/c1-5-3-7(4-8)6(2)9-5/h5-8H,3-4H2,1-2H3/t5-,6+,7+/m1/s1.
What are the key properties of [(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol?
[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol is sourced from PubChem (CID 171816838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).