(2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine

C10H20Br2O3S — CID 91396629

IUPAC(2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine
SMILESBrBr.COC[C@H]1O[C@@H](C)C(C)C1OCSC
InChIInChI=1S/C10H20O3S.Br2/c1-7-8(2)13-9(5-11-3)10(7)12-6-14-4;1-2/h7-10H,5-6H2,1-4H3;/t7?,8-,9+,10?;/m0./s1
InChIKeyARADICFEZDOFSM-DIGPDZHSSA-N
MW380.14 g/mol
LogP3.45
Rot. Bonds5

About (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine

(2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine (PubChem CID 91396629) has the molecular formula C10H20Br2O3S and a molecular weight of 380.14 g/mol. Its IUPAC name is (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine.

Molecular Properties

Compound Name(2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine
PubChem CID91396629
Molecular FormulaC10H20Br2O3S
Molecular Weight380.14 g/mol
Exact Mass377.95
IUPAC Name(2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine
SMILESBrBr.COC[C@H]1O[C@@H](C)C(C)C1OCSC
InChIInChI=1S/C10H20O3S.Br2/c1-7-8(2)13-9(5-11-3)10(7)12-6-14-4;1-2/h7-10H,5-6H2,1-4H3;/t7?,8-,9+,10?;/m0./s1
InChIKeyARADICFEZDOFSM-DIGPDZHSSA-N
XLogP3.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine?
The IUPAC name of (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine (CID 91396629) is (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine.
What is the SMILES notation for (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine?
The canonical SMILES for (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine is BrBr.COC[C@H]1O[C@@H](C)C(C)C1OCSC.
What is the InChIKey of (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine?
The InChIKey is ARADICFEZDOFSM-DIGPDZHSSA-N. The full InChI is InChI=1S/C10H20O3S.Br2/c1-7-8(2)13-9(5-11-3)10(7)12-6-14-4;1-2/h7-10H,5-6H2,1-4H3;/t7?,8-,9+,10?;/m0./s1.
What are the key properties of (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine?
(2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine has a molecular weight of 380.14 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane;molecular bromine is sourced from PubChem (CID 91396629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).