(3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol

C11H22O3 — CID 139583645

IUPAC(3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol
SMILESCC[C@@H]1OC(O)(CC)[C@H](C)[C@@H](O)[C@@H]1C
InChIInChI=1S/C11H22O3/c1-5-9-7(3)10(12)8(4)11(13,6-2)14-9/h7-10,12-13H,5-6H2,1-4H3/t7-,8-,9+,10+,11?/m1/s1
InChIKeyQDJKQVLUTJJLAC-XSIKWTSOSA-N
MW202.29 g/mol
LogP1.53
Rot. Bonds2

About (3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol

(3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol (PubChem CID 139583645) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol.

Molecular Properties

Compound Name(3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol
PubChem CID139583645
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol
SMILESCC[C@@H]1OC(O)(CC)[C@H](C)[C@@H](O)[C@@H]1C
InChIInChI=1S/C11H22O3/c1-5-9-7(3)10(12)8(4)11(13,6-2)14-9/h7-10,12-13H,5-6H2,1-4H3/t7-,8-,9+,10+,11?/m1/s1
InChIKeyQDJKQVLUTJJLAC-XSIKWTSOSA-N
XLogP1.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol?
The IUPAC name of (3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol (CID 139583645) is (3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol.
What is the SMILES notation for (3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol?
The canonical SMILES for (3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol is CC[C@@H]1OC(O)(CC)[C@H](C)[C@@H](O)[C@@H]1C.
What is the InChIKey of (3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol?
The InChIKey is QDJKQVLUTJJLAC-XSIKWTSOSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-9-7(3)10(12)8(4)11(13,6-2)14-9/h7-10,12-13H,5-6H2,1-4H3/t7-,8-,9+,10+,11?/m1/s1.
What are the key properties of (3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol?
(3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol has a molecular weight of 202.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol is sourced from PubChem (CID 139583645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).