(2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane

C19H38O6 — CID 163958040

IUPAC(2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane
SMILESCOC[C@H]1O[C@@H](OCCC(C)C)C(OC)[C@@H](OC(C)C)C1OC(C)C
InChIInChI=1S/C19H38O6/c1-12(2)9-10-22-19-18(21-8)17(24-14(5)6)16(23-13(3)4)15(25-19)11-20-7/h12-19H,9-11H2,1-8H3/t15-,16?,17+,18?,19-/m1/s1
InChIKeySFCLLXKRIWRXBG-KAYMUHFXSA-N
MW362.51 g/mol
LogP3.02
Rot. Bonds11

About (2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane

(2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane (PubChem CID 163958040) has the molecular formula C19H38O6 and a molecular weight of 362.51 g/mol. Its IUPAC name is (2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane.

Molecular Properties

Compound Name(2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane
PubChem CID163958040
Molecular FormulaC19H38O6
Molecular Weight362.51 g/mol
Exact Mass362.27
IUPAC Name(2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane
SMILESCOC[C@H]1O[C@@H](OCCC(C)C)C(OC)[C@@H](OC(C)C)C1OC(C)C
InChIInChI=1S/C19H38O6/c1-12(2)9-10-22-19-18(21-8)17(24-14(5)6)16(23-13(3)4)15(25-19)11-20-7/h12-19H,9-11H2,1-8H3/t15-,16?,17+,18?,19-/m1/s1
InChIKeySFCLLXKRIWRXBG-KAYMUHFXSA-N
XLogP3.02
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane?
The IUPAC name of (2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane (CID 163958040) is (2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane.
What is the SMILES notation for (2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane?
The canonical SMILES for (2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane is COC[C@H]1O[C@@H](OCCC(C)C)C(OC)[C@@H](OC(C)C)C1OC(C)C.
What is the InChIKey of (2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane?
The InChIKey is SFCLLXKRIWRXBG-KAYMUHFXSA-N. The full InChI is InChI=1S/C19H38O6/c1-12(2)9-10-22-19-18(21-8)17(24-14(5)6)16(23-13(3)4)15(25-19)11-20-7/h12-19H,9-11H2,1-8H3/t15-,16?,17+,18?,19-/m1/s1.
What are the key properties of (2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane?
(2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane has a molecular weight of 362.51 g/mol, XLogP of 3.02, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-5-methoxy-2-(methoxymethyl)-6-(3-methylbutoxy)-3,4-di(propan-2-yloxy)oxane is sourced from PubChem (CID 163958040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).