2-(3,5,5-trimethylhexoxy)ethanol

C11H24O2 — CID 54373855

IUPAC2-(3,5,5-trimethylhexoxy)ethanol
SMILESCC(CCOCCO)CC(C)(C)C
InChIInChI=1S/C11H24O2/c1-10(9-11(2,3)4)5-7-13-8-6-12/h10,12H,5-9H2,1-4H3
InChIKeyVRLNXDMBFJCQBN-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.46
Rot. Bonds6

About 2-(3,5,5-trimethylhexoxy)ethanol

2-(3,5,5-trimethylhexoxy)ethanol (PubChem CID 54373855) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-(3,5,5-trimethylhexoxy)ethanol.

Molecular Properties

Compound Name2-(3,5,5-trimethylhexoxy)ethanol
PubChem CID54373855
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-(3,5,5-trimethylhexoxy)ethanol
SMILESCC(CCOCCO)CC(C)(C)C
InChIInChI=1S/C11H24O2/c1-10(9-11(2,3)4)5-7-13-8-6-12/h10,12H,5-9H2,1-4H3
InChIKeyVRLNXDMBFJCQBN-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
CID 545734
3,5,5-trimethyl-1-[3-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]propoxy]hexane
CID 58682902
3,5,5-trimethyl-1-(2-propan-2-yloxyethoxy)hexane
CID 138626060
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate
CID 89103547
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
1-(3,5,5-trimethylhexoxy)undecane
CID 86724837
2-[2-[2-[2-[2-(3,7-dimethyloctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102323659
4-(3,5,5-trimethylhexoxy)-N-[4-(3,5,5-trimethylhexoxy)butyl]butan-1-amine
CID 87914119
3,5,5-trimethyl-1-[2-(3,5,5-trimethylhexoxy)propan-2-yloxy]hexane
CID 141134456
2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium
CID 166008404
2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653158
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520

Frequently Asked Questions

What is the IUPAC name of 2-(3,5,5-trimethylhexoxy)ethanol?
The IUPAC name of 2-(3,5,5-trimethylhexoxy)ethanol (CID 54373855) is 2-(3,5,5-trimethylhexoxy)ethanol.
What is the SMILES notation for 2-(3,5,5-trimethylhexoxy)ethanol?
The canonical SMILES for 2-(3,5,5-trimethylhexoxy)ethanol is CC(CCOCCO)CC(C)(C)C.
What is the InChIKey of 2-(3,5,5-trimethylhexoxy)ethanol?
The InChIKey is VRLNXDMBFJCQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-10(9-11(2,3)4)5-7-13-8-6-12/h10,12H,5-9H2,1-4H3.
What are the key properties of 2-(3,5,5-trimethylhexoxy)ethanol?
2-(3,5,5-trimethylhexoxy)ethanol has a molecular weight of 188.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5,5-trimethylhexoxy)ethanol is sourced from PubChem (CID 54373855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).