(3R,5R)-2,3-dimethylnonane-2,5-diol

C11H24O2 — CID 10465096

IUPAC(3R,5R)-2,3-dimethylnonane-2,5-diol
SMILESCCCC[C@@H](O)C[C@@H](C)C(C)(C)O
InChIInChI=1S/C11H24O2/c1-5-6-7-10(12)8-9(2)11(3,4)13/h9-10,12-13H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyNLZHLKIUZRQDGP-NXEZZACHSA-N
MW188.31 g/mol
LogP2.33
Rot. Bonds6

About (3R,5R)-2,3-dimethylnonane-2,5-diol

(3R,5R)-2,3-dimethylnonane-2,5-diol (PubChem CID 10465096) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is (3R,5R)-2,3-dimethylnonane-2,5-diol.

Molecular Properties

Compound Name(3R,5R)-2,3-dimethylnonane-2,5-diol
PubChem CID10465096
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name(3R,5R)-2,3-dimethylnonane-2,5-diol
SMILESCCCC[C@@H](O)C[C@@H](C)C(C)(C)O
InChIInChI=1S/C11H24O2/c1-5-6-7-10(12)8-9(2)11(3,4)13/h9-10,12-13H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyNLZHLKIUZRQDGP-NXEZZACHSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3,5-trimethyloctan-2-ol
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decane-4,6-diol;scandium
CID 164810305
CID 172776718
CID 172776718
nonane-3,5-diol;scandium
CID 164810293
(4S)-2-methylnonan-4-ol
CID 86308805
2,2,4-trimethylundecan-6-ol
CID 115784414
(6S,8S)-heptacosane-6,8-diol
CID 10693038
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CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2,3-dimethylnonane-2,5-diol?
The IUPAC name of (3R,5R)-2,3-dimethylnonane-2,5-diol (CID 10465096) is (3R,5R)-2,3-dimethylnonane-2,5-diol.
What is the SMILES notation for (3R,5R)-2,3-dimethylnonane-2,5-diol?
The canonical SMILES for (3R,5R)-2,3-dimethylnonane-2,5-diol is CCCC[C@@H](O)C[C@@H](C)C(C)(C)O.
What is the InChIKey of (3R,5R)-2,3-dimethylnonane-2,5-diol?
The InChIKey is NLZHLKIUZRQDGP-NXEZZACHSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-6-7-10(12)8-9(2)11(3,4)13/h9-10,12-13H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of (3R,5R)-2,3-dimethylnonane-2,5-diol?
(3R,5R)-2,3-dimethylnonane-2,5-diol has a molecular weight of 188.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2,3-dimethylnonane-2,5-diol is sourced from PubChem (CID 10465096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).