(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane

C11H22O — CID 91456258

IUPAC(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
SMILESCCC1O[C@@H](C)C(C)C(C)[C@@H]1C
InChIInChI=1S/C11H22O/c1-6-11-9(4)7(2)8(3)10(5)12-11/h7-11H,6H2,1-5H3/t7?,8?,9-,10-,11?/m0/s1
InChIKeyQXGXZFCIOMNNOY-MFJJBREYSA-N
MW170.30 g/mol
LogP3.09
Rot. Bonds1

About (3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane

(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane (PubChem CID 91456258) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane.

Molecular Properties

Compound Name(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
PubChem CID91456258
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
SMILESCCC1O[C@@H](C)C(C)C(C)[C@@H]1C
InChIInChI=1S/C11H22O/c1-6-11-9(4)7(2)8(3)10(5)12-11/h7-11H,6H2,1-5H3/t7?,8?,9-,10-,11?/m0/s1
InChIKeyQXGXZFCIOMNNOY-MFJJBREYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane?
The IUPAC name of (3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane (CID 91456258) is (3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane.
What is the SMILES notation for (3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane?
The canonical SMILES for (3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane is CCC1O[C@@H](C)C(C)C(C)[C@@H]1C.
What is the InChIKey of (3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane?
The InChIKey is QXGXZFCIOMNNOY-MFJJBREYSA-N. The full InChI is InChI=1S/C11H22O/c1-6-11-9(4)7(2)8(3)10(5)12-11/h7-11H,6H2,1-5H3/t7?,8?,9-,10-,11?/m0/s1.
What are the key properties of (3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane?
(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane has a molecular weight of 170.30 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane is sourced from PubChem (CID 91456258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).