(2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol

C10H22O5 — CID 34085051

IUPAC(2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol
SMILESCC(C)(O)[C@@](C)(O)[C@](C)(O)[C@@](C)(O)CO
InChIInChI=1S/C10H22O5/c1-7(2,12)9(4,14)10(5,15)8(3,13)6-11/h11-15H,6H2,1-5H3/t8-,9+,10+/m0/s1
InChIKeyYNWGIYBRIPKRJK-IVZWLZJFSA-N
MW222.28 g/mol
LogP-1.00
Rot. Bonds4

About (2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol

(2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol (PubChem CID 34085051) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is (2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol
PubChem CID34085051
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name(2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol
SMILESCC(C)(O)[C@@](C)(O)[C@](C)(O)[C@@](C)(O)CO
InChIInChI=1S/C10H22O5/c1-7(2,12)9(4,14)10(5,15)8(3,13)6-11/h11-15H,6H2,1-5H3/t8-,9+,10+/m0/s1
InChIKeyYNWGIYBRIPKRJK-IVZWLZJFSA-N
XLogP-1.00
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-1.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol?
The IUPAC name of (2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol (CID 34085051) is (2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol?
The canonical SMILES for (2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol is CC(C)(O)[C@@](C)(O)[C@](C)(O)[C@@](C)(O)CO.
What is the InChIKey of (2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol?
The InChIKey is YNWGIYBRIPKRJK-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H22O5/c1-7(2,12)9(4,14)10(5,15)8(3,13)6-11/h11-15H,6H2,1-5H3/t8-,9+,10+/m0/s1.
What are the key properties of (2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol?
(2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol has a molecular weight of 222.28 g/mol, XLogP of -1.00, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol is sourced from PubChem (CID 34085051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).