(3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol

C9H18O4 — CID 100998822

IUPAC(3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol
SMILESCC(C)O[C@@H]1[C@H](O)[C@@H](O)CO[C@@H]1C
InChIInChI=1S/C9H18O4/c1-5(2)13-9-6(3)12-4-7(10)8(9)11/h5-11H,4H2,1-3H3/t6-,7+,8-,9+/m1/s1
InChIKeyDZHGATFGJQFGBR-XAVMHZPKSA-N
MW190.24 g/mol
LogP-0.08
Rot. Bonds2

About (3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol

(3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol (PubChem CID 100998822) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol
PubChem CID100998822
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol
SMILESCC(C)O[C@@H]1[C@H](O)[C@@H](O)CO[C@@H]1C
InChIInChI=1S/C9H18O4/c1-5(2)13-9-6(3)12-4-7(10)8(9)11/h5-11H,4H2,1-3H3/t6-,7+,8-,9+/m1/s1
InChIKeyDZHGATFGJQFGBR-XAVMHZPKSA-N
XLogP-0.08
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol?
The IUPAC name of (3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol (CID 100998822) is (3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol.
What is the SMILES notation for (3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol?
The canonical SMILES for (3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol is CC(C)O[C@@H]1[C@H](O)[C@@H](O)CO[C@@H]1C.
What is the InChIKey of (3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol?
The InChIKey is DZHGATFGJQFGBR-XAVMHZPKSA-N. The full InChI is InChI=1S/C9H18O4/c1-5(2)13-9-6(3)12-4-7(10)8(9)11/h5-11H,4H2,1-3H3/t6-,7+,8-,9+/m1/s1.
What are the key properties of (3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol?
(3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol has a molecular weight of 190.24 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol is sourced from PubChem (CID 100998822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).