(3S)-3,4,5-trimethoxy-2,6-dimethyloxane

C10H20O4 — CID 129044476

IUPAC(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
SMILESCOC1C(C)OC(C)[C@H](OC)C1OC
InChIInChI=1S/C10H20O4/c1-6-8(11-3)10(13-5)9(12-4)7(2)14-6/h6-10H,1-5H3/t6?,7?,8-,9?,10?/m0/s1
InChIKeyKRSWMLDDQQZSKK-DVOJEQBISA-N
MW204.27 g/mol
LogP0.84
Rot. Bonds3

About (3S)-3,4,5-trimethoxy-2,6-dimethyloxane

(3S)-3,4,5-trimethoxy-2,6-dimethyloxane (PubChem CID 129044476) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (3S)-3,4,5-trimethoxy-2,6-dimethyloxane.

Molecular Properties

Compound Name(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
PubChem CID129044476
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
SMILESCOC1C(C)OC(C)[C@H](OC)C1OC
InChIInChI=1S/C10H20O4/c1-6-8(11-3)10(13-5)9(12-4)7(2)14-6/h6-10H,1-5H3/t6?,7?,8-,9?,10?/m0/s1
InChIKeyKRSWMLDDQQZSKK-DVOJEQBISA-N
XLogP0.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,4,5-trimethoxy-2,6-dimethyloxane?
The IUPAC name of (3S)-3,4,5-trimethoxy-2,6-dimethyloxane (CID 129044476) is (3S)-3,4,5-trimethoxy-2,6-dimethyloxane.
What is the SMILES notation for (3S)-3,4,5-trimethoxy-2,6-dimethyloxane?
The canonical SMILES for (3S)-3,4,5-trimethoxy-2,6-dimethyloxane is COC1C(C)OC(C)[C@H](OC)C1OC.
What is the InChIKey of (3S)-3,4,5-trimethoxy-2,6-dimethyloxane?
The InChIKey is KRSWMLDDQQZSKK-DVOJEQBISA-N. The full InChI is InChI=1S/C10H20O4/c1-6-8(11-3)10(13-5)9(12-4)7(2)14-6/h6-10H,1-5H3/t6?,7?,8-,9?,10?/m0/s1.
What are the key properties of (3S)-3,4,5-trimethoxy-2,6-dimethyloxane?
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane has a molecular weight of 204.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4,5-trimethoxy-2,6-dimethyloxane is sourced from PubChem (CID 129044476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).