(2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane

C18H38O6 — CID 22942429

IUPAC(2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane
SMILESCCC(C)OC[C@H](OC)[C@@H](OC)[C@H](OC)[C@@H](COC(C)CC)OC
InChIInChI=1S/C18H38O6/c1-9-13(3)23-11-15(19-5)17(21-7)18(22-8)16(20-6)12-24-14(4)10-2/h13-18H,9-12H2,1-8H3/t13?,14?,15-,16+,17-,18-/m1/s1
InChIKeyVXMBPKQQIPWZHP-RPUAIKFZSA-N
MW350.50 g/mol
LogP2.68
Rot. Bonds15

About (2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane

(2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane (PubChem CID 22942429) has the molecular formula C18H38O6 and a molecular weight of 350.50 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane
PubChem CID22942429
Molecular FormulaC18H38O6
Molecular Weight350.50 g/mol
Exact Mass350.27
IUPAC Name(2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane
SMILESCCC(C)OC[C@H](OC)[C@@H](OC)[C@H](OC)[C@@H](COC(C)CC)OC
InChIInChI=1S/C18H38O6/c1-9-13(3)23-11-15(19-5)17(21-7)18(22-8)16(20-6)12-24-14(4)10-2/h13-18H,9-12H2,1-8H3/t13?,14?,15-,16+,17-,18-/m1/s1
InChIKeyVXMBPKQQIPWZHP-RPUAIKFZSA-N
XLogP2.68
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane?
The IUPAC name of (2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane (CID 22942429) is (2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane.
What is the SMILES notation for (2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane?
The canonical SMILES for (2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane is CCC(C)OC[C@H](OC)[C@@H](OC)[C@H](OC)[C@@H](COC(C)CC)OC.
What is the InChIKey of (2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane?
The InChIKey is VXMBPKQQIPWZHP-RPUAIKFZSA-N. The full InChI is InChI=1S/C18H38O6/c1-9-13(3)23-11-15(19-5)17(21-7)18(22-8)16(20-6)12-24-14(4)10-2/h13-18H,9-12H2,1-8H3/t13?,14?,15-,16+,17-,18-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane?
(2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane has a molecular weight of 350.50 g/mol, XLogP of 2.68, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-1,6-di(butan-2-yloxy)-2,3,4,5-tetramethoxyhexane is sourced from PubChem (CID 22942429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).