(2R,4R)-decane-2,4-diol

C10H22O2 — CID 16752205

IUPAC(2R,4R)-decane-2,4-diol
SMILESCCCCCC[C@@H](O)C[C@@H](C)O
InChIInChI=1S/C10H22O2/c1-3-4-5-6-7-10(12)8-9(2)11/h9-12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyAMJXRWSHIASCAM-NXEZZACHSA-N
MW174.28 g/mol
LogP2.09
Rot. Bonds7

About (2R,4R)-decane-2,4-diol

(2R,4R)-decane-2,4-diol (PubChem CID 16752205) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is (2R,4R)-decane-2,4-diol.

Molecular Properties

Compound Name(2R,4R)-decane-2,4-diol
PubChem CID16752205
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name(2R,4R)-decane-2,4-diol
SMILESCCCCCC[C@@H](O)C[C@@H](C)O
InChIInChI=1S/C10H22O2/c1-3-4-5-6-7-10(12)8-9(2)11/h9-12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyAMJXRWSHIASCAM-NXEZZACHSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-hentriacont-22-ene-2,4-diol
CID 101083869
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
hentriacontane-14,16-diol
CID 87514654
(6S,8S)-heptacosane-6,8-diol
CID 10693038
(4S)-2-methylnonan-4-ol
CID 86308805
(5S,7R)-dodecane-5,7-diol
CID 12060471
3-methyltridecan-5-ol
CID 13025106
(3S,5S)-2-methylundecane-3,5-diol
CID 14784007
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-decane-2,4-diol?
The IUPAC name of (2R,4R)-decane-2,4-diol (CID 16752205) is (2R,4R)-decane-2,4-diol.
What is the SMILES notation for (2R,4R)-decane-2,4-diol?
The canonical SMILES for (2R,4R)-decane-2,4-diol is CCCCCC[C@@H](O)C[C@@H](C)O.
What is the InChIKey of (2R,4R)-decane-2,4-diol?
The InChIKey is AMJXRWSHIASCAM-NXEZZACHSA-N. The full InChI is InChI=1S/C10H22O2/c1-3-4-5-6-7-10(12)8-9(2)11/h9-12H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-decane-2,4-diol?
(2R,4R)-decane-2,4-diol has a molecular weight of 174.28 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-decane-2,4-diol is sourced from PubChem (CID 16752205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).