(2S,5R)-2-tert-butyl-5-methyloxane

C10H20O — CID 90348358

IUPAC(2S,5R)-2-tert-butyl-5-methyloxane
SMILESC[C@@H]1CC[C@@H](C(C)(C)C)OC1
InChIInChI=1S/C10H20O/c1-8-5-6-9(11-7-8)10(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyURFDFNZKPLTNAB-BDAKNGLRSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds

About (2S,5R)-2-tert-butyl-5-methyloxane

(2S,5R)-2-tert-butyl-5-methyloxane (PubChem CID 90348358) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (2S,5R)-2-tert-butyl-5-methyloxane.

Molecular Properties

Compound Name(2S,5R)-2-tert-butyl-5-methyloxane
PubChem CID90348358
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(2S,5R)-2-tert-butyl-5-methyloxane
SMILESC[C@@H]1CC[C@@H](C(C)(C)C)OC1
InChIInChI=1S/C10H20O/c1-8-5-6-9(11-7-8)10(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyURFDFNZKPLTNAB-BDAKNGLRSA-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

2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
Thromboxane
CID 114873
2-Tert-butyloxane
CID 21482440
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
(2R,3S)-2-octyl-3-pentyloxane
CID 22102069
(2R,4S)-4-fluoro-2-propan-2-yloxane
CID 154718108
2,4,6-Trimethyltetrahydropyrane
CID 13776990
CID 20849211
CID 20849211
a-(2,2-Dimethylpropyl)tetrahydrofuran
CID 21304846
2,6-Dimethyl-4-ethyltetrahydropyrane
CID 22965776
2-Methyl-3-propyltetrahydropyran
CID 57486098

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-tert-butyl-5-methyloxane?
The IUPAC name of (2S,5R)-2-tert-butyl-5-methyloxane (CID 90348358) is (2S,5R)-2-tert-butyl-5-methyloxane.
What is the SMILES notation for (2S,5R)-2-tert-butyl-5-methyloxane?
The canonical SMILES for (2S,5R)-2-tert-butyl-5-methyloxane is C[C@@H]1CC[C@@H](C(C)(C)C)OC1.
What is the InChIKey of (2S,5R)-2-tert-butyl-5-methyloxane?
The InChIKey is URFDFNZKPLTNAB-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20O/c1-8-5-6-9(11-7-8)10(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of (2S,5R)-2-tert-butyl-5-methyloxane?
(2S,5R)-2-tert-butyl-5-methyloxane 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 (2S,5R)-2-tert-butyl-5-methyloxane is sourced from PubChem (CID 90348358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).