(3R)-3-ethylhexane-1,6-diol

C8H18O2 — CID 118889856

IUPAC(3R)-3-ethylhexane-1,6-diol
SMILESCC[C@@H](CCO)CCCO
InChIInChI=1S/C8H18O2/c1-2-8(5-7-10)4-3-6-9/h8-10H,2-7H2,1H3/t8-/m1/s1
InChIKeyGAXKSEKIKLJOTF-MRVPVSSYSA-N
MW146.23 g/mol
LogP1.17
Rot. Bonds6

About (3R)-3-ethylhexane-1,6-diol

(3R)-3-ethylhexane-1,6-diol (PubChem CID 118889856) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is (3R)-3-ethylhexane-1,6-diol.

Molecular Properties

Compound Name(3R)-3-ethylhexane-1,6-diol
PubChem CID118889856
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name(3R)-3-ethylhexane-1,6-diol
SMILESCC[C@@H](CCO)CCCO
InChIInChI=1S/C8H18O2/c1-2-8(5-7-10)4-3-6-9/h8-10H,2-7H2,1H3/t8-/m1/s1
InChIKeyGAXKSEKIKLJOTF-MRVPVSSYSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-diethylnonane-1,9-diol
CID 19787583
8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol
CID 170925289
(3S)-3-ethyloctane-1,8-diol
CID 118889766
4-ethyldecan-1-ol
CID 91002231
4-ethyltridecan-1-ol
CID 20550506
5-ethyloctan-1-ol
CID 22492547
10-ethyldodecan-1-ol
CID 18475243
azane;3-ethylhenicosan-1-ol
CID 174815540
18-ethylhenicosan-1-ol
CID 87097708
3,5,8-triethyldecane-1,10-diol
CID 87065848
6-ethyldecane-1,4-diol
CID 106677709
3-ethyl-6-(methylamino)hexan-1-ol
CID 142846754

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethylhexane-1,6-diol?
The IUPAC name of (3R)-3-ethylhexane-1,6-diol (CID 118889856) is (3R)-3-ethylhexane-1,6-diol.
What is the SMILES notation for (3R)-3-ethylhexane-1,6-diol?
The canonical SMILES for (3R)-3-ethylhexane-1,6-diol is CC[C@@H](CCO)CCCO.
What is the InChIKey of (3R)-3-ethylhexane-1,6-diol?
The InChIKey is GAXKSEKIKLJOTF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18O2/c1-2-8(5-7-10)4-3-6-9/h8-10H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-ethylhexane-1,6-diol?
(3R)-3-ethylhexane-1,6-diol has a molecular weight of 146.23 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethylhexane-1,6-diol is sourced from PubChem (CID 118889856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).