[(2R,5R)-5-tert-butyloxolan-2-yl]methanol

C9H18O2 — CID 14506377

IUPAC[(2R,5R)-5-tert-butyloxolan-2-yl]methanol
SMILESCC(C)(C)[C@H]1CC[C@H](CO)O1
InChIInChI=1S/C9H18O2/c1-9(2,3)8-5-4-7(6-10)11-8/h7-8,10H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyXCZCIXDNRKZCJP-HTQZYQBOSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds1

About [(2R,5R)-5-tert-butyloxolan-2-yl]methanol

[(2R,5R)-5-tert-butyloxolan-2-yl]methanol (PubChem CID 14506377) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is [(2R,5R)-5-tert-butyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5R)-5-tert-butyloxolan-2-yl]methanol
PubChem CID14506377
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name[(2R,5R)-5-tert-butyloxolan-2-yl]methanol
SMILESCC(C)(C)[C@H]1CC[C@H](CO)O1
InChIInChI=1S/C9H18O2/c1-9(2,3)8-5-4-7(6-10)11-8/h7-8,10H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyXCZCIXDNRKZCJP-HTQZYQBOSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,5R)-5-tert-butyloxolan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-tert-butyloxolan-2-yl]methanol?
The IUPAC name of [(2R,5R)-5-tert-butyloxolan-2-yl]methanol (CID 14506377) is [(2R,5R)-5-tert-butyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,5R)-5-tert-butyloxolan-2-yl]methanol?
The canonical SMILES for [(2R,5R)-5-tert-butyloxolan-2-yl]methanol is CC(C)(C)[C@H]1CC[C@H](CO)O1.
What is the InChIKey of [(2R,5R)-5-tert-butyloxolan-2-yl]methanol?
The InChIKey is XCZCIXDNRKZCJP-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(2,3)8-5-4-7(6-10)11-8/h7-8,10H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of [(2R,5R)-5-tert-butyloxolan-2-yl]methanol?
[(2R,5R)-5-tert-butyloxolan-2-yl]methanol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-tert-butyloxolan-2-yl]methanol is sourced from PubChem (CID 14506377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).