2-(2,2,6-trimethylheptan-3-yloxy)ethanol

C12H26O2 — CID 142712551

IUPAC2-(2,2,6-trimethylheptan-3-yloxy)ethanol
SMILESCC(C)CCC(OCCO)C(C)(C)C
InChIInChI=1S/C12H26O2/c1-10(2)6-7-11(12(3,4)5)14-9-8-13/h10-11,13H,6-9H2,1-5H3
InChIKeyTXUOPGOVJPQTMZ-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.85
Rot. Bonds6

About 2-(2,2,6-trimethylheptan-3-yloxy)ethanol

2-(2,2,6-trimethylheptan-3-yloxy)ethanol (PubChem CID 142712551) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-(2,2,6-trimethylheptan-3-yloxy)ethanol.

Molecular Properties

Compound Name2-(2,2,6-trimethylheptan-3-yloxy)ethanol
PubChem CID142712551
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-(2,2,6-trimethylheptan-3-yloxy)ethanol
SMILESCC(C)CCC(OCCO)C(C)(C)C
InChIInChI=1S/C12H26O2/c1-10(2)6-7-11(12(3,4)5)14-9-8-13/h10-11,13H,6-9H2,1-5H3
InChIKeyTXUOPGOVJPQTMZ-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,7-dimethyloctan-4-yloxy)ethanol
CID 142712484
5-(2-hydroxyethoxy)-3,3,6,6-tetramethylheptanenitrile
CID 134479837
2-(1-bromo-2,2-dimethylpropoxy)ethanol
CID 174323230
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
3-(1-amino-3,3-dimethylbutan-2-yl)oxypropan-1-ol
CID 103377299
2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium
CID 166008404
1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylhexan-2-ol
CID 140523651
2-(2-aminoethoxy)-3,3-dimethylbutan-1-ol
CID 175288171
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol
CID 168837690
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6-trimethylheptan-3-yloxy)ethanol?
The IUPAC name of 2-(2,2,6-trimethylheptan-3-yloxy)ethanol (CID 142712551) is 2-(2,2,6-trimethylheptan-3-yloxy)ethanol.
What is the SMILES notation for 2-(2,2,6-trimethylheptan-3-yloxy)ethanol?
The canonical SMILES for 2-(2,2,6-trimethylheptan-3-yloxy)ethanol is CC(C)CCC(OCCO)C(C)(C)C.
What is the InChIKey of 2-(2,2,6-trimethylheptan-3-yloxy)ethanol?
The InChIKey is TXUOPGOVJPQTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-10(2)6-7-11(12(3,4)5)14-9-8-13/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 2-(2,2,6-trimethylheptan-3-yloxy)ethanol?
2-(2,2,6-trimethylheptan-3-yloxy)ethanol has a molecular weight of 202.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6-trimethylheptan-3-yloxy)ethanol is sourced from PubChem (CID 142712551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).