(4S)-4-tert-butyl-2,2-dimethyloxolane

C10H20O — CID 59883974

IUPAC(4S)-4-tert-butyl-2,2-dimethyloxolane
SMILESCC1(C)C[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C10H20O/c1-9(2,3)8-6-10(4,5)11-7-8/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyOSTQRJFECHOAHT-MRVPVSSYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds

About (4S)-4-tert-butyl-2,2-dimethyloxolane

(4S)-4-tert-butyl-2,2-dimethyloxolane (PubChem CID 59883974) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2,2-dimethyloxolane.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2,2-dimethyloxolane
PubChem CID59883974
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(4S)-4-tert-butyl-2,2-dimethyloxolane
SMILESCC1(C)C[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C10H20O/c1-9(2,3)8-6-10(4,5)11-7-8/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyOSTQRJFECHOAHT-MRVPVSSYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-1-oxa-8-azaspiro[4.5]decane
CID 171431706
4-(2,2-difluoropropyl)-2,2-dimethyloxolane
CID 143114832
2-tert-butyl-5,8-dioxaspiro[3.4]octane
CID 138672396
(4R)-4-methoxy-2,2-dimethyloxolane
CID 118600677
2,6-ditert-butylspiro[3.3]heptane
CID 140647096
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
5-amino-2,2-dimethyloxan-4-ol
CID 123616838
[(3S)-5,5-dimethyloxolan-3-yl]methanol
CID 10796767
(4S,5S)-5-amino-2,2-dimethyloxan-4-ol
CID 118036455
(5-amino-2,2-dimethyloxan-4-yl)methanol
CID 162343129
3-tert-butyl-9,9-dimethyl-7,8,12-trioxaspiro[5.6]dodecane
CID 101355186
2,2-dimethyl-4-(nitrosomethyl)oxolane
CID 163951788

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2,2-dimethyloxolane?
The IUPAC name of (4S)-4-tert-butyl-2,2-dimethyloxolane (CID 59883974) is (4S)-4-tert-butyl-2,2-dimethyloxolane.
What is the SMILES notation for (4S)-4-tert-butyl-2,2-dimethyloxolane?
The canonical SMILES for (4S)-4-tert-butyl-2,2-dimethyloxolane is CC1(C)C[C@@H](C(C)(C)C)CO1.
What is the InChIKey of (4S)-4-tert-butyl-2,2-dimethyloxolane?
The InChIKey is OSTQRJFECHOAHT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20O/c1-9(2,3)8-6-10(4,5)11-7-8/h8H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2,2-dimethyloxolane?
(4S)-4-tert-butyl-2,2-dimethyloxolane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2,2-dimethyloxolane is sourced from PubChem (CID 59883974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).