2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane

C18H40O4 — CID 118255040

IUPAC2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane
SMILESCCCC(OC(CCC)C(C)C)C(C)C.OCCOCCO
InChIInChI=1S/C14H30O.C4H10O3/c1-7-9-13(11(3)4)15-14(10-8-2)12(5)6;5-1-3-7-4-2-6/h11-14H,7-10H2,1-6H3;5-6H,1-4H2
InChIKeyZARBKBWWBUIPMO-UHFFFAOYSA-N
MW320.51 g/mol
LogP3.64
Rot. Bonds12

About 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane

2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane (PubChem CID 118255040) has the molecular formula C18H40O4 and a molecular weight of 320.51 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane
PubChem CID118255040
Molecular FormulaC18H40O4
Molecular Weight320.51 g/mol
Exact Mass320.29
IUPAC Name2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane
SMILESCCCC(OC(CCC)C(C)C)C(C)C.OCCOCCO
InChIInChI=1S/C14H30O.C4H10O3/c1-7-9-13(11(3)4)15-14(10-8-2)12(5)6;5-1-3-7-4-2-6/h11-14H,7-10H2,1-6H3;5-6H,1-4H2
InChIKeyZARBKBWWBUIPMO-UHFFFAOYSA-N
XLogP3.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol
CID 139910427
butane-1,1-diol;2-(2-hydroxyethoxy)ethanol
CID 87212260
2-[2-(2-pentan-2-yloxyethoxy)ethoxy]ethanol
CID 23132047
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
2-[2-[2-[2-[2-[2-(2-ethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177306208
2-[2-(heptan-4-ylamino)ethoxy]ethanol
CID 28727805
2-butoxyethanol;tris(propan-2-ol);titanium
CID 162429668
calcium;hydride;2-propoxyethanol
CID 174734380
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane (CID 118255040) is 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane is CCCC(OC(CCC)C(C)C)C(C)C.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane?
The InChIKey is ZARBKBWWBUIPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.C4H10O3/c1-7-9-13(11(3)4)15-14(10-8-2)12(5)6;5-1-3-7-4-2-6/h11-14H,7-10H2,1-6H3;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane?
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane has a molecular weight of 320.51 g/mol, XLogP of 3.64, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane is sourced from PubChem (CID 118255040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).