2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol

C15H32O4 — CID 104568624

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol
SMILESCCCCOCCOCCOCCC(CO)CCC
InChIInChI=1S/C15H32O4/c1-3-5-8-17-10-12-19-13-11-18-9-7-15(14-16)6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyVHXPORHQPIXNCS-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.63
Rot. Bonds15

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol

2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol (PubChem CID 104568624) has the molecular formula C15H32O4 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol
PubChem CID104568624
Molecular FormulaC15H32O4
Molecular Weight276.42 g/mol
Exact Mass276.23
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol
SMILESCCCCOCCOCCOCCC(CO)CCC
InChIInChI=1S/C15H32O4/c1-3-5-8-17-10-12-19-13-11-18-9-7-15(14-16)6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyVHXPORHQPIXNCS-UHFFFAOYSA-N
XLogP2.63
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxybutyl)propane-1,3-diol
CID 168858104
5-ethoxy-2-(2-ethoxyethyl)pentan-1-ol
CID 121218996
4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-(chloromethyl)butane
CID 113427643
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567852
1-butoxybutane;2-ethylhexan-1-ol;propane-1,2-diol
CID 19043654
(2S)-2-propyldecan-1-ol
CID 10176571
2-propylheptadecan-1-ol
CID 137441509
2-propyldodecan-1-ol
CID 14438908
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol
CID 66058003
3-(2-butoxyethoxy)-1-chloropropan-1-ol
CID 175308716
2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
CID 103185077

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol (CID 104568624) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol is CCCCOCCOCCOCCC(CO)CCC.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol?
The InChIKey is VHXPORHQPIXNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4/c1-3-5-8-17-10-12-19-13-11-18-9-7-15(14-16)6-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.63, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol is sourced from PubChem (CID 104568624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).