[(2R,6R)-6-tert-butyloxan-2-yl]methanol

C10H20O2 — CID 14983126

IUPAC[(2R,6R)-6-tert-butyloxan-2-yl]methanol
SMILESCC(C)(C)[C@H]1CCC[C@H](CO)O1
InChIInChI=1S/C10H20O2/c1-10(2,3)9-6-4-5-8(7-11)12-9/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyDNJRJTWWTISNED-RKDXNWHRSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds1

About [(2R,6R)-6-tert-butyloxan-2-yl]methanol

[(2R,6R)-6-tert-butyloxan-2-yl]methanol (PubChem CID 14983126) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is [(2R,6R)-6-tert-butyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,6R)-6-tert-butyloxan-2-yl]methanol
PubChem CID14983126
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name[(2R,6R)-6-tert-butyloxan-2-yl]methanol
SMILESCC(C)(C)[C@H]1CCC[C@H](CO)O1
InChIInChI=1S/C10H20O2/c1-10(2,3)9-6-4-5-8(7-11)12-9/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyDNJRJTWWTISNED-RKDXNWHRSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,6R)-6-tert-butyloxan-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,6R)-6-tert-butyloxan-2-yl]methanol?
The IUPAC name of [(2R,6R)-6-tert-butyloxan-2-yl]methanol (CID 14983126) is [(2R,6R)-6-tert-butyloxan-2-yl]methanol.
What is the SMILES notation for [(2R,6R)-6-tert-butyloxan-2-yl]methanol?
The canonical SMILES for [(2R,6R)-6-tert-butyloxan-2-yl]methanol is CC(C)(C)[C@H]1CCC[C@H](CO)O1.
What is the InChIKey of [(2R,6R)-6-tert-butyloxan-2-yl]methanol?
The InChIKey is DNJRJTWWTISNED-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,3)9-6-4-5-8(7-11)12-9/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of [(2R,6R)-6-tert-butyloxan-2-yl]methanol?
[(2R,6R)-6-tert-butyloxan-2-yl]methanol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-tert-butyloxan-2-yl]methanol is sourced from PubChem (CID 14983126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).