(2R,3S)-3-tert-butyl-2-methyloxolan-3-ol

C9H18O2 — CID 170415710

IUPAC(2R,3S)-3-tert-butyl-2-methyloxolan-3-ol
SMILESC[C@H]1OCC[C@]1(O)C(C)(C)C
InChIInChI=1S/C9H18O2/c1-7-9(10,5-6-11-7)8(2,3)4/h7,10H,5-6H2,1-4H3/t7-,9-/m1/s1
InChIKeyXJLKDPAADXRHKE-VXNVDRBHSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds

About (2R,3S)-3-tert-butyl-2-methyloxolan-3-ol

(2R,3S)-3-tert-butyl-2-methyloxolan-3-ol (PubChem CID 170415710) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2R,3S)-3-tert-butyl-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-3-tert-butyl-2-methyloxolan-3-ol
PubChem CID170415710
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2R,3S)-3-tert-butyl-2-methyloxolan-3-ol
SMILESC[C@H]1OCC[C@]1(O)C(C)(C)C
InChIInChI=1S/C9H18O2/c1-7-9(10,5-6-11-7)8(2,3)4/h7,10H,5-6H2,1-4H3/t7-,9-/m1/s1
InChIKeyXJLKDPAADXRHKE-VXNVDRBHSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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,3S)-3-tert-butyl-2-methyloxolan-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

2,2-difluoro-2-(3-hydroxy-2-methyloxolan-3-yl)acetic acid
CID 82717347
3-(4-tert-butylphenyl)-2-methyloxolan-3-ol
CID 82717330
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol
CID 106100165
3-(methoxymethyl)-2-methyloxolan-3-ol
CID 82719325
[3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine
CID 82719050
3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
CID 114535392
2-methyl-3-pentyloxolan-3-ol
CID 82718337
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 106101650
3-heptyl-2-methyloxolan-3-ol
CID 82718796
3-[(3,3-diethoxypropylamino)methyl]-2-methyloxolan-3-ol
CID 114143474
3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanoic acid
CID 106101058

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-tert-butyl-2-methyloxolan-3-ol?
The IUPAC name of (2R,3S)-3-tert-butyl-2-methyloxolan-3-ol (CID 170415710) is (2R,3S)-3-tert-butyl-2-methyloxolan-3-ol.
What is the SMILES notation for (2R,3S)-3-tert-butyl-2-methyloxolan-3-ol?
The canonical SMILES for (2R,3S)-3-tert-butyl-2-methyloxolan-3-ol is C[C@H]1OCC[C@]1(O)C(C)(C)C.
What is the InChIKey of (2R,3S)-3-tert-butyl-2-methyloxolan-3-ol?
The InChIKey is XJLKDPAADXRHKE-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H18O2/c1-7-9(10,5-6-11-7)8(2,3)4/h7,10H,5-6H2,1-4H3/t7-,9-/m1/s1.
What are the key properties of (2R,3S)-3-tert-butyl-2-methyloxolan-3-ol?
(2R,3S)-3-tert-butyl-2-methyloxolan-3-ol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-tert-butyl-2-methyloxolan-3-ol is sourced from PubChem (CID 170415710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).