2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

C18H34O6 — CID 87170296

IUPAC2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESC=CCCCC=CCOCCOCCOCCOCCOCCO
InChIInChI=1S/C18H34O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h2,6-7,19H,1,3-5,8-18H2
InChIKeyYFTKSORHHNMAQC-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.97
Rot. Bonds20

About 2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 87170296) has the molecular formula C18H34O6 and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID87170296
Molecular FormulaC18H34O6
Molecular Weight346.46 g/mol
Exact Mass346.24
IUPAC Name2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESC=CCCCC=CCOCCOCCOCCOCCOCCO
InChIInChI=1S/C18H34O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h2,6-7,19H,1,3-5,8-18H2
InChIKeyYFTKSORHHNMAQC-UHFFFAOYSA-N
XLogP1.97
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(8-ethoxyocta-1,6-diene);bis(2-octa-2,7-dienoxyethanol);oxotitanium(2+)
CID 87836311
(6E)-8-(2-methoxyethoxy)octa-1,6-diene
CID 11344418
bis(2-octa-2,7-dienoxyethyl) but-2-enedioate
CID 91193780
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
9-nona-2,8-dienoxynona-1,7-diene
CID 174408599
2-octa-4,7-dienoxyethanol
CID 123490176
2-[(4E)-octa-4,7-dienoxy]ethanol
CID 87090687
dodeca-1,6,11-triene
CID 548864
3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol
CID 86746415
2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 88726836
2-penta-2,4-dienoxyethanol
CID 141172207

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (CID 87170296) is 2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is C=CCCCC=CCOCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is YFTKSORHHNMAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h2,6-7,19H,1,3-5,8-18H2.
What are the key properties of 2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 346.46 g/mol, XLogP of 1.97, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 87170296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).