3-tert-butyl-2-methyloxolan-3-ol

C9H18O2 — CID 82719216

IUPAC3-tert-butyl-2-methyloxolan-3-ol
SMILESCC1OCCC1(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
InChIKeyXJLKDPAADXRHKE-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds

About 3-tert-butyl-2-methyloxolan-3-ol

3-tert-butyl-2-methyloxolan-3-ol (PubChem CID 82719216) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-tert-butyl-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-tert-butyl-2-methyloxolan-3-ol
PubChem CID82719216
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-tert-butyl-2-methyloxolan-3-ol
SMILESCC1OCCC1(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
InChIKeyXJLKDPAADXRHKE-UHFFFAOYSA-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

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Related Compounds

2,2,5,5-Tetramethyloxolan-3-ol
CID 34730
3-Ethyl-2,2,5,5-tetramethyloxolan-3-ol
CID 32273
3-Furanol, tetrahydro-5,5-diethyl-
CID 34707
1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol
CID 34715
3,4-Furandiol, tetrahydro-2,2,5,5-tetramethyl-
CID 34723
3-Furanmethanol, tetrahydro-4-hydroxy-2,2,5,5-tetramethyl-
CID 34725
Tetrahydro-2,2,3,5,5-pentamethyl-3-furanol
CID 34731
3-Furanol, tetrahydro-2,2,4,5,5-pentamethyl-
CID 34732
3-Isopropyltetrahydrofuran-3-OL
CID 58551503
3-(Ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol
CID 15270323
(2,4,4-Trimethyloxolan-2-yl)methanol
CID 130122375
2,3-Dimethyloxolan-3-ol
CID 82718176

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyloxolan-3-ol?
The IUPAC name of 3-tert-butyl-2-methyloxolan-3-ol (CID 82719216) is 3-tert-butyl-2-methyloxolan-3-ol.
What is the SMILES notation for 3-tert-butyl-2-methyloxolan-3-ol?
The canonical SMILES for 3-tert-butyl-2-methyloxolan-3-ol is CC1OCCC1(O)C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methyloxolan-3-ol?
The InChIKey is XJLKDPAADXRHKE-UHFFFAOYSA-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.
What are the key properties of 3-tert-butyl-2-methyloxolan-3-ol?
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 3-tert-butyl-2-methyloxolan-3-ol is sourced from PubChem (CID 82719216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).