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

C₈H₁₈O₂ — CID 118889856

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 CID: 118889856
• Molecular Formula: C₈H₁₈O₂
• Molecular Weight: 146.23 g/mol
• Exact Mass: 146.13
• IUPAC Name: (3R)-3-ethylhexane-1,6-diol
• SMILES: CC[C@@H](CCO)CCCO
• InChI: InChI=1S/C8H18O2/c1-2-8(5-7-10)4-3-6-9/h8-10H,2-7H2,1H3/t8-/m1/s1
• InChIKey: GAXKSEKIKLJOTF-MRVPVSSYSA-N
• XLogP: 1.17
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	146.23
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

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).

Sources

• PubChem CID 118889856 — identifiers, structure, computed properties (public domain)

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