(3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol

C8H16O6 — CID 134850656

IUPAC(3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol
SMILESCOCO[C@H]1COC(O)[C@@H]1OCOC
InChIInChI=1S/C8H16O6/c1-10-4-13-6-3-12-8(9)7(6)14-5-11-2/h6-9H,3-5H2,1-2H3/t6-,7+,8?/m0/s1
InChIKeyIXOQCXCVIKWOTG-KJFJCRTCSA-N
MW208.21 g/mol
LogP-0.69
Rot. Bonds6

About (3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol

(3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol (PubChem CID 134850656) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol.

Molecular Properties

Compound Name(3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol
PubChem CID134850656
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol
SMILESCOCO[C@H]1COC(O)[C@@H]1OCOC
InChIInChI=1S/C8H16O6/c1-10-4-13-6-3-12-8(9)7(6)14-5-11-2/h6-9H,3-5H2,1-2H3/t6-,7+,8?/m0/s1
InChIKeyIXOQCXCVIKWOTG-KJFJCRTCSA-N
XLogP-0.69
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol?
The IUPAC name of (3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol (CID 134850656) is (3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol.
What is the SMILES notation for (3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol?
The canonical SMILES for (3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol is COCO[C@H]1COC(O)[C@@H]1OCOC.
What is the InChIKey of (3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol?
The InChIKey is IXOQCXCVIKWOTG-KJFJCRTCSA-N. The full InChI is InChI=1S/C8H16O6/c1-10-4-13-6-3-12-8(9)7(6)14-5-11-2/h6-9H,3-5H2,1-2H3/t6-,7+,8?/m0/s1.
What are the key properties of (3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol?
(3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol has a molecular weight of 208.21 g/mol, XLogP of -0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol is sourced from PubChem (CID 134850656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).