(E)-1-(1-ethoxyethoxy)heptadec-8-ene

C21H42O2 — CID 10496409

IUPAC(E)-1-(1-ethoxyethoxy)heptadec-8-ene
SMILESCCCCCCCC/C=C/CCCCCCCOC(C)OCC
InChIInChI=1S/C21H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(3)22-5-2/h12-13,21H,4-11,14-20H2,1-3H3/b13-12+
InChIKeyDVZBEFVANOQEFH-OUKQBFOZSA-N
MW326.57 g/mol
LogP7.03
Rot. Bonds18

About (E)-1-(1-ethoxyethoxy)heptadec-8-ene

(E)-1-(1-ethoxyethoxy)heptadec-8-ene (PubChem CID 10496409) has the molecular formula C21H42O2 and a molecular weight of 326.57 g/mol. Its IUPAC name is (E)-1-(1-ethoxyethoxy)heptadec-8-ene.

Molecular Properties

Compound Name(E)-1-(1-ethoxyethoxy)heptadec-8-ene
PubChem CID10496409
Molecular FormulaC21H42O2
Molecular Weight326.57 g/mol
Exact Mass326.32
IUPAC Name(E)-1-(1-ethoxyethoxy)heptadec-8-ene
SMILESCCCCCCCC/C=C/CCCCCCCOC(C)OCC
InChIInChI=1S/C21H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(3)22-5-2/h12-13,21H,4-11,14-20H2,1-3H3/b13-12+
InChIKeyDVZBEFVANOQEFH-OUKQBFOZSA-N
XLogP7.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

11-(1-ethoxyethoxy)undec-1-ene
CID 10900817
(E)-12-(1-ethoxyethoxy)dodec-5-en-3-yne
CID 6436838
(Z)-1-ethoxynonadec-9-ene
CID 87517612
(Z)-1-ethoxypentadec-7-ene
CID 87516958
15-ethoxypentadec-7-ene
CID 91170991
1-undec-4-enoxyundec-4-ene
CID 91358832
14-(2-tetradec-9-enoxypropoxy)tetradec-5-ene
CID 123583402
2-[(Z)-octadec-9-enoxy]propane-1,3-diol;hydrate
CID 88725993
1-octadec-9-enoxyethane-1,2-diol
CID 173099928
2-(hydroxymethyl)-2-(1-octadec-9-enoxyethyl)propane-1,3-diol
CID 173408731
bis(octadec-9-enyl) 2,3-diethoxybutanedioate
CID 123401106
1-bromo-8-(1-ethoxyethoxy)octane
CID 12607748

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-ethoxyethoxy)heptadec-8-ene?
The IUPAC name of (E)-1-(1-ethoxyethoxy)heptadec-8-ene (CID 10496409) is (E)-1-(1-ethoxyethoxy)heptadec-8-ene.
What is the SMILES notation for (E)-1-(1-ethoxyethoxy)heptadec-8-ene?
The canonical SMILES for (E)-1-(1-ethoxyethoxy)heptadec-8-ene is CCCCCCCC/C=C/CCCCCCCOC(C)OCC.
What is the InChIKey of (E)-1-(1-ethoxyethoxy)heptadec-8-ene?
The InChIKey is DVZBEFVANOQEFH-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(3)22-5-2/h12-13,21H,4-11,14-20H2,1-3H3/b13-12+.
What are the key properties of (E)-1-(1-ethoxyethoxy)heptadec-8-ene?
(E)-1-(1-ethoxyethoxy)heptadec-8-ene has a molecular weight of 326.57 g/mol, XLogP of 7.03, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-ethoxyethoxy)heptadec-8-ene is sourced from PubChem (CID 10496409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).