(2R,4S,6S)-2,4-dimethylnonane-1,6-diol

C11H24O2 — CID 129322484

IUPAC(2R,4S,6S)-2,4-dimethylnonane-1,6-diol
SMILESCCC[C@H](O)C[C@@H](C)C[C@@H](C)CO
InChIInChI=1S/C11H24O2/c1-4-5-11(13)7-9(2)6-10(3)8-12/h9-13H,4-8H2,1-3H3/t9-,10+,11-/m0/s1
InChIKeyGHJSXOBUPWSSJI-AXFHLTTASA-N
MW188.31 g/mol
LogP2.19
Rot. Bonds7

About (2R,4S,6S)-2,4-dimethylnonane-1,6-diol

(2R,4S,6S)-2,4-dimethylnonane-1,6-diol (PubChem CID 129322484) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is (2R,4S,6S)-2,4-dimethylnonane-1,6-diol.

Molecular Properties

Compound Name(2R,4S,6S)-2,4-dimethylnonane-1,6-diol
PubChem CID129322484
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name(2R,4S,6S)-2,4-dimethylnonane-1,6-diol
SMILESCCC[C@H](O)C[C@@H](C)C[C@@H](C)CO
InChIInChI=1S/C11H24O2/c1-4-5-11(13)7-9(2)6-10(3)8-12/h9-13H,4-8H2,1-3H3/t9-,10+,11-/m0/s1
InChIKeyGHJSXOBUPWSSJI-AXFHLTTASA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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heptane-2,4-diol
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2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
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(2S,4S,6S,8S,10S,12S,14S)-2,4,6,8,10,12,14-heptamethyltriacontan-1-ol
CID 102327418
(2S,4R)-2,4,6-trimethylheptan-1-ol
CID 13109020
nonane-2,4,6-triol
CID 87069137
5-bromo-2-methylpentane-1,4-diol
CID 57216025
2-iodoheptan-4-ol
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5-methyloctan-3-ol
CID 19931017
2-methylpentan-1-ol;4-methylpentan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S)-2,4-dimethylnonane-1,6-diol?
The IUPAC name of (2R,4S,6S)-2,4-dimethylnonane-1,6-diol (CID 129322484) is (2R,4S,6S)-2,4-dimethylnonane-1,6-diol.
What is the SMILES notation for (2R,4S,6S)-2,4-dimethylnonane-1,6-diol?
The canonical SMILES for (2R,4S,6S)-2,4-dimethylnonane-1,6-diol is CCC[C@H](O)C[C@@H](C)C[C@@H](C)CO.
What is the InChIKey of (2R,4S,6S)-2,4-dimethylnonane-1,6-diol?
The InChIKey is GHJSXOBUPWSSJI-AXFHLTTASA-N. The full InChI is InChI=1S/C11H24O2/c1-4-5-11(13)7-9(2)6-10(3)8-12/h9-13H,4-8H2,1-3H3/t9-,10+,11-/m0/s1.
What are the key properties of (2R,4S,6S)-2,4-dimethylnonane-1,6-diol?
(2R,4S,6S)-2,4-dimethylnonane-1,6-diol has a molecular weight of 188.31 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S)-2,4-dimethylnonane-1,6-diol is sourced from PubChem (CID 129322484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).