2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol

C15H30O6 — CID 118634410

IUPAC2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol
SMILESC=COCCCCOCCOCC(C)OCCOCCO
InChIInChI=1S/C15H30O6/c1-3-17-7-4-5-8-18-10-11-20-14-15(2)21-13-12-19-9-6-16/h3,15-16H,1,4-14H2,2H3
InChIKeyKMLAHMFUPVRXEL-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.37
Rot. Bonds17

About 2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol

2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol (PubChem CID 118634410) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol
PubChem CID118634410
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Name2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol
SMILESC=COCCCCOCCOCC(C)OCCOCCO
InChIInChI=1S/C15H30O6/c1-3-17-7-4-5-8-18-10-11-20-14-15(2)21-13-12-19-9-6-16/h3,15-16H,1,4-14H2,2H3
InChIKeyKMLAHMFUPVRXEL-UHFFFAOYSA-N
XLogP1.37
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[1-[1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594793
2-[2-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethanol
CID 139597047
2-[2-[2-[2-[1-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596809
2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596934
2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
CID 139597772
2-[2-[2-[2-[2-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597568
2-[2-[2-[2-[2-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595319
2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
CID 139596177
2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594995
4-ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol
CID 88574268
2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethanol
CID 159071028
2-(2-ethenoxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159459473

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol (CID 118634410) is 2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol is C=COCCCCOCCOCC(C)OCCOCCO.
What is the InChIKey of 2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol?
The InChIKey is KMLAHMFUPVRXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6/c1-3-17-7-4-5-8-18-10-11-20-14-15(2)21-13-12-19-9-6-16/h3,15-16H,1,4-14H2,2H3.
What are the key properties of 2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol?
2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol has a molecular weight of 306.40 g/mol, XLogP of 1.37, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol is sourced from PubChem (CID 118634410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).