(2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran

C10H18O5 — CID 134834586

IUPAC(2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran
SMILESCOCO[C@@H]1[C@@H](C)OC=C[C@H]1OCOC
InChIInChI=1S/C10H18O5/c1-8-10(15-7-12-3)9(4-5-13-8)14-6-11-2/h4-5,8-10H,6-7H2,1-3H3/t8-,9-,10-/m1/s1
InChIKeyKVLSZAUYNRYCJW-OPRDCNLKSA-N
MW218.25 g/mol
LogP0.90
Rot. Bonds6

About (2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran

(2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran (PubChem CID 134834586) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran
PubChem CID134834586
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran
SMILESCOCO[C@@H]1[C@@H](C)OC=C[C@H]1OCOC
InChIInChI=1S/C10H18O5/c1-8-10(15-7-12-3)9(4-5-13-8)14-6-11-2/h4-5,8-10H,6-7H2,1-3H3/t8-,9-,10-/m1/s1
InChIKeyKVLSZAUYNRYCJW-OPRDCNLKSA-N
XLogP0.90
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of (2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran (CID 134834586) is (2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran is COCO[C@@H]1[C@@H](C)OC=C[C@H]1OCOC.
What is the InChIKey of (2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran?
The InChIKey is KVLSZAUYNRYCJW-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H18O5/c1-8-10(15-7-12-3)9(4-5-13-8)14-6-11-2/h4-5,8-10H,6-7H2,1-3H3/t8-,9-,10-/m1/s1.
What are the key properties of (2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran?
(2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran has a molecular weight of 218.25 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 134834586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).