(1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol

C10H20O6 — CID 135037840

IUPAC(1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol
SMILESCOC1(C)OC[C@@H]([C@@H](O)CO)O[C@]1(C)OC
InChIInChI=1S/C10H20O6/c1-9(13-3)10(2,14-4)16-8(6-15-9)7(12)5-11/h7-8,11-12H,5-6H2,1-4H3/t7-,8-,9?,10-/m0/s1
InChIKeyFSNHFIZWYUQRGJ-HQRIKABESA-N
MW236.26 g/mol
LogP-0.52
Rot. Bonds4

About (1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol

(1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol (PubChem CID 135037840) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol
PubChem CID135037840
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol
SMILESCOC1(C)OC[C@@H]([C@@H](O)CO)O[C@]1(C)OC
InChIInChI=1S/C10H20O6/c1-9(13-3)10(2,14-4)16-8(6-15-9)7(12)5-11/h7-8,11-12H,5-6H2,1-4H3/t7-,8-,9?,10-/m0/s1
InChIKeyFSNHFIZWYUQRGJ-HQRIKABESA-N
XLogP-0.52
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol (CID 135037840) is (1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol is COC1(C)OC[C@@H]([C@@H](O)CO)O[C@]1(C)OC.
What is the InChIKey of (1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol?
The InChIKey is FSNHFIZWYUQRGJ-HQRIKABESA-N. The full InChI is InChI=1S/C10H20O6/c1-9(13-3)10(2,14-4)16-8(6-15-9)7(12)5-11/h7-8,11-12H,5-6H2,1-4H3/t7-,8-,9?,10-/m0/s1.
What are the key properties of (1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol?
(1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol has a molecular weight of 236.26 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 135037840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).