2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol

C15H30O5 — CID 86242770

IUPAC2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCC=COCCOCCOCCOCCO
InChIInChI=1S/C15H30O5/c1-2-3-4-5-6-8-17-10-12-19-14-15-20-13-11-18-9-7-16/h6,8,16H,2-5,7,9-15H2,1H3
InChIKeyAEKOGPHTRKQYDA-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.14
Rot. Bonds16

About 2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 86242770) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol
PubChem CID86242770
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCC=COCCOCCOCCOCCO
InChIInChI=1S/C15H30O5/c1-2-3-4-5-6-8-17-10-12-19-14-15-20-13-11-18-9-7-16/h6,8,16H,2-5,7,9-15H2,1H3
InChIKeyAEKOGPHTRKQYDA-UHFFFAOYSA-N
XLogP2.14
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(2-oct-1-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 72996883
2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol
CID 87285415
2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol
CID 85060270
3-octadec-1-enoxypropan-1-ol
CID 552588
2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 170920421
2-[2-(2-but-1-enoxyethoxy)ethoxy]ethanol
CID 140501157
2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol
CID 42626936
1-butoxyheptadec-1-ene
CID 173032025
1-butoxynonadec-1-ene
CID 173032007
acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 71341370
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-[2-[2-[(Z)-2-[2-(2-hydroxyethoxy)ethoxy]ethenoxy]ethoxy]ethoxy]ethanol
CID 11987840

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol (CID 86242770) is 2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol is CCCCCC=COCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is AEKOGPHTRKQYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5/c1-2-3-4-5-6-8-17-10-12-19-14-15-20-13-11-18-9-7-16/h6,8,16H,2-5,7,9-15H2,1H3.
What are the key properties of 2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 290.40 g/mol, XLogP of 2.14, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 86242770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).