2,2,6,7-tetramethyloctane-3,6-diol

C12H26O2 — CID 114496700

IUPAC2,2,6,7-tetramethyloctane-3,6-diol
SMILESCC(C)C(C)(O)CCC(O)C(C)(C)C
InChIInChI=1S/C12H26O2/c1-9(2)12(6,14)8-7-10(13)11(3,4)5/h9-10,13-14H,7-8H2,1-6H3
InChIKeyQETPJGFRFBLBFN-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.58
Rot. Bonds4

About 2,2,6,7-tetramethyloctane-3,6-diol

2,2,6,7-tetramethyloctane-3,6-diol (PubChem CID 114496700) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2,2,6,7-tetramethyloctane-3,6-diol.

Molecular Properties

Compound Name2,2,6,7-tetramethyloctane-3,6-diol
PubChem CID114496700
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2,2,6,7-tetramethyloctane-3,6-diol
SMILESCC(C)C(C)(O)CCC(O)C(C)(C)C
InChIInChI=1S/C12H26O2/c1-9(2)12(6,14)8-7-10(13)11(3,4)5/h9-10,13-14H,7-8H2,1-6H3
InChIKeyQETPJGFRFBLBFN-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,6-trimethyloctan-3-ol
CID 122367206
2,3,6,7,8-pentamethylnonan-3-ol
CID 20659783
(3R,6R,7R,10R,11R,14R,15R,18R,19R,22R)-2,6,10,15,19,23-hexamethyltetracosane-2,3,6,7,10,11,14,15,18,19,22,23-dodecol
CID 134974140
(3R)-2,2-dimethylhexan-3-ol
CID 7004855
2,2,11,11-tetramethyldodecane-3,10-diol
CID 86054845
1-amino-4,4-dimethylpentan-3-ol
CID 55283756
(3S)-2,3-dimethyloctan-3-ol
CID 25021578
3,9-ditert-butyl-6,6-dimethylundecane-2,10-diol
CID 162768133
3,6,6-trimethylheptane-1,5-diol
CID 78070326
2,3-dimethyltridecan-3-ol
CID 14591139
(5R)-5-hydroxy-5,6-dimethylheptan-2-one
CID 14824861
2,6,6-trimethylheptan-3-ol
CID 20577986

Frequently Asked Questions

What is the IUPAC name of 2,2,6,7-tetramethyloctane-3,6-diol?
The IUPAC name of 2,2,6,7-tetramethyloctane-3,6-diol (CID 114496700) is 2,2,6,7-tetramethyloctane-3,6-diol.
What is the SMILES notation for 2,2,6,7-tetramethyloctane-3,6-diol?
The canonical SMILES for 2,2,6,7-tetramethyloctane-3,6-diol is CC(C)C(C)(O)CCC(O)C(C)(C)C.
What is the InChIKey of 2,2,6,7-tetramethyloctane-3,6-diol?
The InChIKey is QETPJGFRFBLBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-9(2)12(6,14)8-7-10(13)11(3,4)5/h9-10,13-14H,7-8H2,1-6H3.
What are the key properties of 2,2,6,7-tetramethyloctane-3,6-diol?
2,2,6,7-tetramethyloctane-3,6-diol has a molecular weight of 202.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,7-tetramethyloctane-3,6-diol is sourced from PubChem (CID 114496700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).