4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene

C16H30O5 — CID 87256314

IUPAC4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene
SMILESC=CCC(CC=C)OCCOCCOCCOCCOC
InChIInChI=1S/C16H30O5/c1-4-6-16(7-5-2)21-15-14-20-13-12-19-11-10-18-9-8-17-3/h4-5,16H,1-2,6-15H2,3H3
InChIKeyUIKUMZXRDZPPMG-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.22
Rot. Bonds17

About 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene

4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene (PubChem CID 87256314) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene.

Molecular Properties

Compound Name4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene
PubChem CID87256314
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene
SMILESC=CCC(CC=C)OCCOCCOCCOCCOC
InChIInChI=1S/C16H30O5/c1-4-6-16(7-5-2)21-15-14-20-13-12-19-11-10-18-9-8-17-3/h4-5,16H,1-2,6-15H2,3H3
InChIKeyUIKUMZXRDZPPMG-UHFFFAOYSA-N
XLogP2.22
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-Fluoro-4-(2-methoxyethoxy)hepta-1,6-diene
CID 155621741
(3R,4S)-4-prop-2-enoxy-3-[(3R,4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene
CID 11232389
(3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene
CID 134882653
1-Allyl-3-butenyl ethyl ether
CID 12755723
2-But-3-enyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 21811784
4-Hex-5-en-3-yloxyhex-1-ene
CID 22446577
2-Ethyl-3-prop-2-enyl-1,4-dioxane
CID 53673214
4-(2-Ethoxyethoxy)-3-[1-(2-ethoxyethoxy)but-3-en-2-yloxy]but-1-ene
CID 57034169
5,6-Bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hex-1-ene
CID 57088262
4-[2-[2-[2-(2-But-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]but-1-ene
CID 57094594
4,5-Diethoxyhex-1-ene
CID 57300469
2,3,5,6-Tetrakis(prop-2-enyl)-1,4-dioxane
CID 67208002

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene?
The IUPAC name of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene (CID 87256314) is 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene.
What is the SMILES notation for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene?
The canonical SMILES for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene is C=CCC(CC=C)OCCOCCOCCOCCOC.
What is the InChIKey of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene?
The InChIKey is UIKUMZXRDZPPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-4-6-16(7-5-2)21-15-14-20-13-12-19-11-10-18-9-8-17-3/h4-5,16H,1-2,6-15H2,3H3.
What are the key properties of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene?
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene has a molecular weight of 302.41 g/mol, XLogP of 2.22, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hepta-1,6-diene is sourced from PubChem (CID 87256314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).