2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol

C12H26O3 — CID 139910427

IUPAC2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol
SMILESCCCCC(OCCOCCO)C(C)C
InChIInChI=1S/C12H26O3/c1-4-5-6-12(11(2)3)15-10-9-14-8-7-13/h11-13H,4-10H2,1-3H3
InChIKeyYMZQBLJCIDOEGD-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.23
Rot. Bonds10

About 2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol

2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol (PubChem CID 139910427) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol
PubChem CID139910427
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol
SMILESCCCCC(OCCOCCO)C(C)C
InChIInChI=1S/C12H26O3/c1-4-5-6-12(11(2)3)15-10-9-14-8-7-13/h11-13H,4-10H2,1-3H3
InChIKeyYMZQBLJCIDOEGD-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 172858925
2-(2-dodecan-2-yloxyethoxy)ethanol
CID 71420952
2-[2-(2-decan-2-yloxyethoxy)ethoxy]ethanol
CID 87813837
2-[2-(2-pentan-2-yloxyethoxy)ethoxy]ethanol
CID 23132047
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane
CID 118255040
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686
(3S)-3-ethoxy-2-methylheptane
CID 3086090
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 172771806
butan-2-ol;2-butoxyethanol
CID 118377400
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol (CID 139910427) is 2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol is CCCCC(OCCOCCO)C(C)C.
What is the InChIKey of 2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol?
The InChIKey is YMZQBLJCIDOEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-4-5-6-12(11(2)3)15-10-9-14-8-7-13/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol?
2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol has a molecular weight of 218.34 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol is sourced from PubChem (CID 139910427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).