(3S,4R)-3-tert-butyl-4-methyloxolane

C9H18O — CID 158572842

IUPAC(3S,4R)-3-tert-butyl-4-methyloxolane
SMILESC[C@H]1COC[C@@H]1C(C)(C)C
InChIInChI=1S/C9H18O/c1-7-5-10-6-8(7)9(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyGILKRQYSRCNRBJ-YUMQZZPRSA-N
MW142.24 g/mol
LogP2.32
Rot. Bonds

About (3S,4R)-3-tert-butyl-4-methyloxolane

(3S,4R)-3-tert-butyl-4-methyloxolane (PubChem CID 158572842) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3S,4R)-3-tert-butyl-4-methyloxolane.

Molecular Properties

Compound Name(3S,4R)-3-tert-butyl-4-methyloxolane
PubChem CID158572842
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3S,4R)-3-tert-butyl-4-methyloxolane
SMILESC[C@H]1COC[C@@H]1C(C)(C)C
InChIInChI=1S/C9H18O/c1-7-5-10-6-8(7)9(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyGILKRQYSRCNRBJ-YUMQZZPRSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-4-methyloxolane
CID 118688492
2-[(3S)-4-(2-hydroxypropan-2-yl)-5-methyloxan-3-yl]propan-2-ol
CID 155621771
(3R)-3,4-dimethyloxolane;ethene
CID 145261700
6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane
CID 145421576
(3S,4R)-3,4-dimethyloxolane;ethane;methanol
CID 166485181
trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251
2-hydroperoxy-2-methylpropane;2-methyloxirane
CID 158620192
(3R,4R)-3-tert-butyl-4-(2-fluorophenyl)oxolane
CID 130312866
9,10-dimethyl-1,4,7-trioxacycloundecane
CID 20818181
3-ethyl-5-methyloxan-4-ol
CID 59103761
4-tert-butyl-2-methyl-4,5-dihydro-1,2-oxazol-2-ium
CID 90734380

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-tert-butyl-4-methyloxolane?
The IUPAC name of (3S,4R)-3-tert-butyl-4-methyloxolane (CID 158572842) is (3S,4R)-3-tert-butyl-4-methyloxolane.
What is the SMILES notation for (3S,4R)-3-tert-butyl-4-methyloxolane?
The canonical SMILES for (3S,4R)-3-tert-butyl-4-methyloxolane is C[C@H]1COC[C@@H]1C(C)(C)C.
What is the InChIKey of (3S,4R)-3-tert-butyl-4-methyloxolane?
The InChIKey is GILKRQYSRCNRBJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18O/c1-7-5-10-6-8(7)9(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of (3S,4R)-3-tert-butyl-4-methyloxolane?
(3S,4R)-3-tert-butyl-4-methyloxolane has a molecular weight of 142.24 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-tert-butyl-4-methyloxolane is sourced from PubChem (CID 158572842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).