2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol

C12H24O2 — CID 11550192

IUPAC2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol
SMILESC[C@@H]1CC[C@@](C(C)(C)C)(C(C)(C)O)O1
InChIInChI=1S/C12H24O2/c1-9-7-8-12(14-9,10(2,3)4)11(5,6)13/h9,13H,7-8H2,1-6H3/t9-,12-/m1/s1
InChIKeyOGGJCDQWBHPWEM-BXKDBHETSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds1

About 2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol

2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol (PubChem CID 11550192) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol
PubChem CID11550192
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol
SMILESC[C@@H]1CC[C@@](C(C)(C)C)(C(C)(C)O)O1
InChIInChI=1S/C12H24O2/c1-9-7-8-12(14-9,10(2,3)4)11(5,6)13/h9,13H,7-8H2,1-6H3/t9-,12-/m1/s1
InChIKeyOGGJCDQWBHPWEM-BXKDBHETSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol (CID 11550192) is 2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol is C[C@@H]1CC[C@@](C(C)(C)C)(C(C)(C)O)O1.
What is the InChIKey of 2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol?
The InChIKey is OGGJCDQWBHPWEM-BXKDBHETSA-N. The full InChI is InChI=1S/C12H24O2/c1-9-7-8-12(14-9,10(2,3)4)11(5,6)13/h9,13H,7-8H2,1-6H3/t9-,12-/m1/s1.
What are the key properties of 2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol?
2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-2-tert-butyl-5-methyloxolan-2-yl]propan-2-ol is sourced from PubChem (CID 11550192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).