2-(2-hydroxyethoxy)ethanol;pentane

C9H22O3 — CID 157305945

IUPAC2-(2-hydroxyethoxy)ethanol;pentane
SMILESCCCCC.OCCOCCO
InChIInChI=1S/C5H12.C4H10O3/c1-3-5-4-2;5-1-3-7-4-2-6/h3-5H2,1-2H3;5-6H,1-4H2
InChIKeyBCLWLSYJJAHYRV-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.18
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethanol;pentane

2-(2-hydroxyethoxy)ethanol;pentane (PubChem CID 157305945) has the molecular formula C9H22O3 and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;pentane.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;pentane
PubChem CID157305945
Molecular FormulaC9H22O3
Molecular Weight178.27 g/mol
Exact Mass178.16
IUPAC Name2-(2-hydroxyethoxy)ethanol;pentane
SMILESCCCCC.OCCOCCO
InChIInChI=1S/C5H12.C4H10O3/c1-3-5-4-2;5-1-3-7-4-2-6/h3-5H2,1-2H3;5-6H,1-4H2
InChIKeyBCLWLSYJJAHYRV-UHFFFAOYSA-N
XLogP1.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-butoxyethanol
CID 8133
2-tetradecoxyethanol
CID 16491
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-dodecoxyethanol
CID 24750
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-butoxyethanol;molecular nitrogen
CID 86737982
2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848
2-heptoxyethanol
CID 23889
butan-1-amine;2-(2-hydroxyethoxy)ethanol
CID 158511117
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;pentane?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;pentane (CID 157305945) is 2-(2-hydroxyethoxy)ethanol;pentane.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;pentane?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;pentane is CCCCC.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;pentane?
The InChIKey is BCLWLSYJJAHYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H10O3/c1-3-5-4-2;5-1-3-7-4-2-6/h3-5H2,1-2H3;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;pentane?
2-(2-hydroxyethoxy)ethanol;pentane has a molecular weight of 178.27 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;pentane is sourced from PubChem (CID 157305945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).