2,6-dimethyloctane-2,7-diol

C10H22O2 — CID 86174391

IUPAC2,6-dimethyloctane-2,7-diol
SMILESCC(O)C(C)CCCC(C)(C)O
InChIInChI=1S/C10H22O2/c1-8(9(2)11)6-5-7-10(3,4)12/h8-9,11-12H,5-7H2,1-4H3
InChIKeyJSJXUIDIPBOSCT-UHFFFAOYSA-N
MW174.28 g/mol
LogP1.94
Rot. Bonds5

About 2,6-dimethyloctane-2,7-diol

2,6-dimethyloctane-2,7-diol (PubChem CID 86174391) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,6-dimethyloctane-2,7-diol.

Molecular Properties

Compound Name2,6-dimethyloctane-2,7-diol
PubChem CID86174391
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,6-dimethyloctane-2,7-diol
SMILESCC(O)C(C)CCCC(C)(C)O
InChIInChI=1S/C10H22O2/c1-8(9(2)11)6-5-7-10(3,4)12/h8-9,11-12H,5-7H2,1-4H3
InChIKeyJSJXUIDIPBOSCT-UHFFFAOYSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyloctane-2,7-diol?
The IUPAC name of 2,6-dimethyloctane-2,7-diol (CID 86174391) is 2,6-dimethyloctane-2,7-diol.
What is the SMILES notation for 2,6-dimethyloctane-2,7-diol?
The canonical SMILES for 2,6-dimethyloctane-2,7-diol is CC(O)C(C)CCCC(C)(C)O.
What is the InChIKey of 2,6-dimethyloctane-2,7-diol?
The InChIKey is JSJXUIDIPBOSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-8(9(2)11)6-5-7-10(3,4)12/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of 2,6-dimethyloctane-2,7-diol?
2,6-dimethyloctane-2,7-diol has a molecular weight of 174.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloctane-2,7-diol is sourced from PubChem (CID 86174391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).