(3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol

C10H22O4 — CID 11218000

IUPAC(3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol
SMILESCOC(C)(C)[C@H](O)[C@@H](O)C(C)(C)OC
InChIInChI=1S/C10H22O4/c1-9(2,13-5)7(11)8(12)10(3,4)14-6/h7-8,11-12H,1-6H3/t7-,8-/m1/s1
InChIKeyNULZQLNMRPLHRP-HTQZYQBOSA-N
MW206.28 g/mol
LogP0.56
Rot. Bonds5

About (3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol

(3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol (PubChem CID 11218000) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is (3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol
PubChem CID11218000
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name(3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol
SMILESCOC(C)(C)[C@H](O)[C@@H](O)C(C)(C)OC
InChIInChI=1S/C10H22O4/c1-9(2,13-5)7(11)8(12)10(3,4)14-6/h7-8,11-12H,1-6H3/t7-,8-/m1/s1
InChIKeyNULZQLNMRPLHRP-HTQZYQBOSA-N
XLogP0.56
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol?
The IUPAC name of (3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol (CID 11218000) is (3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol.
What is the SMILES notation for (3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol?
The canonical SMILES for (3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol is COC(C)(C)[C@H](O)[C@@H](O)C(C)(C)OC.
What is the InChIKey of (3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol?
The InChIKey is NULZQLNMRPLHRP-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H22O4/c1-9(2,13-5)7(11)8(12)10(3,4)14-6/h7-8,11-12H,1-6H3/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol?
(3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol has a molecular weight of 206.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,5-dimethoxy-2,5-dimethylhexane-3,4-diol is sourced from PubChem (CID 11218000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).