(2S,6R)-2,6-dimethyloctane-1,8-diol

C10H22O2 — CID 10965032

IUPAC(2S,6R)-2,6-dimethyloctane-1,8-diol
SMILESC[C@@H](CCO)CCC[C@H](C)CO
InChIInChI=1S/C10H22O2/c1-9(6-7-11)4-3-5-10(2)8-12/h9-12H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyUZJMKFMEYZHESV-ZJUUUORDSA-N
MW174.28 g/mol
LogP1.80
Rot. Bonds7

About (2S,6R)-2,6-dimethyloctane-1,8-diol

(2S,6R)-2,6-dimethyloctane-1,8-diol (PubChem CID 10965032) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyloctane-1,8-diol.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyloctane-1,8-diol
PubChem CID10965032
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name(2S,6R)-2,6-dimethyloctane-1,8-diol
SMILESC[C@@H](CCO)CCC[C@H](C)CO
InChIInChI=1S/C10H22O2/c1-9(6-7-11)4-3-5-10(2)8-12/h9-12H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyUZJMKFMEYZHESV-ZJUUUORDSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyloctane-1,8-diol?
The IUPAC name of (2S,6R)-2,6-dimethyloctane-1,8-diol (CID 10965032) is (2S,6R)-2,6-dimethyloctane-1,8-diol.
What is the SMILES notation for (2S,6R)-2,6-dimethyloctane-1,8-diol?
The canonical SMILES for (2S,6R)-2,6-dimethyloctane-1,8-diol is C[C@@H](CCO)CCC[C@H](C)CO.
What is the InChIKey of (2S,6R)-2,6-dimethyloctane-1,8-diol?
The InChIKey is UZJMKFMEYZHESV-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22O2/c1-9(6-7-11)4-3-5-10(2)8-12/h9-12H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2S,6R)-2,6-dimethyloctane-1,8-diol?
(2S,6R)-2,6-dimethyloctane-1,8-diol has a molecular weight of 174.28 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyloctane-1,8-diol is sourced from PubChem (CID 10965032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).