(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol

C11H24O3 — CID 73416378

IUPAC(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
SMILESCCCC[C@@H](CC)COC[C@H](O)CO
InChIInChI=1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyNCZPCONIKBICGS-GHMZBOCLSA-N
MW204.31 g/mol
LogP1.57
Rot. Bonds9

About (2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol

(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol (PubChem CID 73416378) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is (2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
PubChem CID73416378
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
SMILESCCCC[C@@H](CC)COC[C@H](O)CO
InChIInChI=1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyNCZPCONIKBICGS-GHMZBOCLSA-N
XLogP1.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol
CID 87069112
3-(2-ethyloctoxy)propane-1,2-diol
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3-(2-ethylhexoxy)propane-1,2-diol;5-ethylnonane-1,2,3-triol
CID 158933323
CID 88753128
CID 88753128
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
CID 29000840
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
2-ethylhexoxymethanol
CID 18783221
ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol
CID 170602401
1-(2-propylhexoxy)butan-2-ol
CID 58918426
1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol
CID 165350340
3-(2,3-dihydroxypropoxy)propane-1,2-diol;hexadecane;icosan-9-ol
CID 174724990

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol?
The IUPAC name of (2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol (CID 73416378) is (2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol is CCCC[C@@H](CC)COC[C@H](O)CO.
What is the InChIKey of (2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol?
The InChIKey is NCZPCONIKBICGS-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol?
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol has a molecular weight of 204.31 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol is sourced from PubChem (CID 73416378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).