(2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol

C16H34O6 — CID 100936590

IUPAC(2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol
SMILESCO[C@H]([C@H](OC)[C@@H](O)COC(C)(C)C)[C@@H](O)COC(C)(C)C
InChIInChI=1S/C16H34O6/c1-15(2,3)21-9-11(17)13(19-7)14(20-8)12(18)10-22-16(4,5)6/h11-14,17-18H,9-10H2,1-8H3/t11-,12-,13-,14+/m0/s1
InChIKeyUXUHXBRSHCPZBB-XDQVBPFNSA-N
MW322.44 g/mol
LogP1.37
Rot. Bonds9

About (2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol

(2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol (PubChem CID 100936590) has the molecular formula C16H34O6 and a molecular weight of 322.44 g/mol. Its IUPAC name is (2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol
PubChem CID100936590
Molecular FormulaC16H34O6
Molecular Weight322.44 g/mol
Exact Mass322.24
IUPAC Name(2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol
SMILESCO[C@H]([C@H](OC)[C@@H](O)COC(C)(C)C)[C@@H](O)COC(C)(C)C
InChIInChI=1S/C16H34O6/c1-15(2,3)21-9-11(17)13(19-7)14(20-8)12(18)10-22-16(4,5)6/h11-14,17-18H,9-10H2,1-8H3/t11-,12-,13-,14+/m0/s1
InChIKeyUXUHXBRSHCPZBB-XDQVBPFNSA-N
XLogP1.37
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol with MolForge

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Related Compounds

(2R,3R,4R,5R)-6-[(2-methylpropan-2-yl)oxy]hexane-1,2,3,4,5-pentol
CID 170654409
2,5-dihydroxy-3,4,6-trimethoxyhexanal
CID 18533991
methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 139757368
1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol
CID 134453133
ethyl 3-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 546410
1-[(2-methylpropan-2-yl)oxy]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-ol
CID 155627567
2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 129163644
(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 90381386
1-[(2-methylpropan-2-yl)oxy]tridec-3-en-5,7,9,11-tetrayn-2-ol
CID 162898866
2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 83853882
(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 55281826
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
CID 8741528

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol?
The IUPAC name of (2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol (CID 100936590) is (2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol.
What is the SMILES notation for (2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol?
The canonical SMILES for (2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol is CO[C@H]([C@H](OC)[C@@H](O)COC(C)(C)C)[C@@H](O)COC(C)(C)C.
What is the InChIKey of (2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol?
The InChIKey is UXUHXBRSHCPZBB-XDQVBPFNSA-N. The full InChI is InChI=1S/C16H34O6/c1-15(2,3)21-9-11(17)13(19-7)14(20-8)12(18)10-22-16(4,5)6/h11-14,17-18H,9-10H2,1-8H3/t11-,12-,13-,14+/m0/s1.
What are the key properties of (2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol?
(2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol has a molecular weight of 322.44 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol is sourced from PubChem (CID 100936590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).