(2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol

C11H24O4 — CID 162900215

IUPAC(2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol
SMILESC[C@H](O)[C@H](C)CC[C@H](O)[C@H](O)[C@H](C)CO
InChIInChI=1S/C11H24O4/c1-7(9(3)13)4-5-10(14)11(15)8(2)6-12/h7-15H,4-6H2,1-3H3/t7-,8-,9+,10+,11-/m1/s1
InChIKeyZGFJGRZPUGTTQY-SAVGLBRCSA-N
MW220.31 g/mol
LogP0.13
Rot. Bonds7

About (2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol

(2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol (PubChem CID 162900215) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol.

Molecular Properties

Compound Name(2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol
PubChem CID162900215
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name(2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol
SMILESC[C@H](O)[C@H](C)CC[C@H](O)[C@H](O)[C@H](C)CO
InChIInChI=1S/C11H24O4/c1-7(9(3)13)4-5-10(14)11(15)8(2)6-12/h7-15H,4-6H2,1-3H3/t7-,8-,9+,10+,11-/m1/s1
InChIKeyZGFJGRZPUGTTQY-SAVGLBRCSA-N
XLogP0.13
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S,3R,4S)-2,4-dimethylhexane-1,3-diol
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(3R,4R)-pentane-1,2,3,4-tetrol
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(2R)-3-methylhexan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol?
The IUPAC name of (2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol (CID 162900215) is (2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol.
What is the SMILES notation for (2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol?
The canonical SMILES for (2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol is C[C@H](O)[C@H](C)CC[C@H](O)[C@H](O)[C@H](C)CO.
What is the InChIKey of (2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol?
The InChIKey is ZGFJGRZPUGTTQY-SAVGLBRCSA-N. The full InChI is InChI=1S/C11H24O4/c1-7(9(3)13)4-5-10(14)11(15)8(2)6-12/h7-15H,4-6H2,1-3H3/t7-,8-,9+,10+,11-/m1/s1.
What are the key properties of (2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol?
(2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol has a molecular weight of 220.31 g/mol, XLogP of 0.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,7R,8S)-2,7-dimethylnonane-1,3,4,8-tetrol is sourced from PubChem (CID 162900215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).