(3R,5S)-5-tert-butyloxolan-3-ol

C8H16O2 — CID 129415677

IUPAC(3R,5S)-5-tert-butyloxolan-3-ol
SMILESCC(C)(C)[C@@H]1C[C@@H](O)CO1
InChIInChI=1S/C8H16O2/c1-8(2,3)7-4-6(9)5-10-7/h6-7,9H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyZMSMOSMYEZTYGU-RQJHMYQMSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds

About (3R,5S)-5-tert-butyloxolan-3-ol

(3R,5S)-5-tert-butyloxolan-3-ol (PubChem CID 129415677) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (3R,5S)-5-tert-butyloxolan-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-tert-butyloxolan-3-ol
PubChem CID129415677
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(3R,5S)-5-tert-butyloxolan-3-ol
SMILESCC(C)(C)[C@@H]1C[C@@H](O)CO1
InChIInChI=1S/C8H16O2/c1-8(2,3)7-4-6(9)5-10-7/h6-7,9H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyZMSMOSMYEZTYGU-RQJHMYQMSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,5S)-5-tert-butyloxolan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

(3R,5R)-5-tert-butyloxolan-3-ol
CID 129415600
(3S,5R)-5-tert-butyloxolan-3-ol
CID 129415604
2-tert-butyl-1,3-dioxan-5-ol
CID 10931729
(4S)-oxolane-2,4-diol
CID 16655459
5-tert-butyldioxolan-3-ol
CID 155146193
2-(5-tert-butyl-1,4-dioxan-2-yl)propan-2-amine;ethane
CID 142378975
5-(1-hydroxypropan-2-yl)oxolan-3-ol
CID 20778564
methyl 2-[(2R,5R)-5-hydroxyoxan-2-yl]-2-methylpropanoate
CID 129408225
3-tert-butyldioxetane
CID 56995815
(2R,4S)-2-tert-butyloxan-4-amine
CID 95335740
(2S,3R,5S)-2-ethyloxane-3,5-diol
CID 148598014
2-(4-aminooxolan-2-yl)propan-2-ol
CID 123680743

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-tert-butyloxolan-3-ol?
The IUPAC name of (3R,5S)-5-tert-butyloxolan-3-ol (CID 129415677) is (3R,5S)-5-tert-butyloxolan-3-ol.
What is the SMILES notation for (3R,5S)-5-tert-butyloxolan-3-ol?
The canonical SMILES for (3R,5S)-5-tert-butyloxolan-3-ol is CC(C)(C)[C@@H]1C[C@@H](O)CO1.
What is the InChIKey of (3R,5S)-5-tert-butyloxolan-3-ol?
The InChIKey is ZMSMOSMYEZTYGU-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16O2/c1-8(2,3)7-4-6(9)5-10-7/h6-7,9H,4-5H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of (3R,5S)-5-tert-butyloxolan-3-ol?
(3R,5S)-5-tert-butyloxolan-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-tert-butyloxolan-3-ol is sourced from PubChem (CID 129415677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).