(4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol

C13H26O2 — CID 59226823

IUPAC(4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol
SMILESCCC1(CC)OC(C)(O)C(C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C13H26O2/c1-7-13(8-2)11(5)9(3)10(4)12(6,14)15-13/h9-11,14H,7-8H2,1-6H3/t9-,10?,11+,12?/m1/s1
InChIKeyMYZSLOZQFZHQEH-ZYGVAYEYSA-N
MW214.35 g/mol
LogP3.19
Rot. Bonds2

About (4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol

(4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol (PubChem CID 59226823) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol.

Molecular Properties

Compound Name(4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol
PubChem CID59226823
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol
SMILESCCC1(CC)OC(C)(O)C(C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C13H26O2/c1-7-13(8-2)11(5)9(3)10(4)12(6,14)15-13/h9-11,14H,7-8H2,1-6H3/t9-,10?,11+,12?/m1/s1
InChIKeyMYZSLOZQFZHQEH-ZYGVAYEYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-9-oxabicyclo[3.3.1]nonan-1-ol
CID 10749426
2-Methyl-3-(2-methylpropyl)oxan-2-ol
CID 22496702
4-Methyl-2-(2-methylpropyl)oxan-2-ol
CID 67125007
2,6-Diethyl-3,5-dimethyl-2-hydroxy-tetrahydropyran
CID 14522549
3-(6-Hydroxy-2,6-dimethylheptyl)oxan-2-ol
CID 135071152
3-(6-Hydroxy-6-methylheptan-2-yl)oxan-2-ol
CID 135071225
(1R,6S)-6-methyl-10-oxabicyclo[4.3.1]decan-1-ol
CID 10844878
5-Butyl-9-oxabicyclo[3.3.1]nonan-1-ol
CID 15710149
5-Tert-butyl-9-oxabicyclo[3.3.1]nonan-1-ol
CID 85585939
2-(2-Methylpropyl)oxan-2-ol
CID 10080638
2-Propan-2-yloxan-2-ol
CID 18728283
(3R,4S,5S)-6,6-diethyl-3,4,5-trimethyloxan-2-ol
CID 59226832

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol?
The IUPAC name of (4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol (CID 59226823) is (4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol.
What is the SMILES notation for (4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol?
The canonical SMILES for (4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol is CCC1(CC)OC(C)(O)C(C)[C@@H](C)[C@@H]1C.
What is the InChIKey of (4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol?
The InChIKey is MYZSLOZQFZHQEH-ZYGVAYEYSA-N. The full InChI is InChI=1S/C13H26O2/c1-7-13(8-2)11(5)9(3)10(4)12(6,14)15-13/h9-11,14H,7-8H2,1-6H3/t9-,10?,11+,12?/m1/s1.
What are the key properties of (4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol?
(4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-6,6-diethyl-2,3,4,5-tetramethyloxan-2-ol is sourced from PubChem (CID 59226823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).