(E)-7-ethoxy-5-ethyltetradec-6-ene

C18H36O — CID 12009433

IUPAC(E)-7-ethoxy-5-ethyltetradec-6-ene
SMILESCCCCCCC/C(=C\C(CC)CCCC)OCC
InChIInChI=1S/C18H36O/c1-5-9-11-12-13-15-18(19-8-4)16-17(7-3)14-10-6-2/h16-17H,5-15H2,1-4H3/b18-16+
InChIKeyNNNYPQNPGYVYCM-FBMGVBCBSA-N
MW268.48 g/mol
LogP6.48
Rot. Bonds13

About (E)-7-ethoxy-5-ethyltetradec-6-ene

(E)-7-ethoxy-5-ethyltetradec-6-ene (PubChem CID 12009433) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is (E)-7-ethoxy-5-ethyltetradec-6-ene.

Molecular Properties

Compound Name(E)-7-ethoxy-5-ethyltetradec-6-ene
PubChem CID12009433
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name(E)-7-ethoxy-5-ethyltetradec-6-ene
SMILESCCCCCCC/C(=C\C(CC)CCCC)OCC
InChIInChI=1S/C18H36O/c1-5-9-11-12-13-15-18(19-8-4)16-17(7-3)14-10-6-2/h16-17H,5-15H2,1-4H3/b18-16+
InChIKeyNNNYPQNPGYVYCM-FBMGVBCBSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of (E)-7-ethoxy-5-ethyltetradec-6-ene?
The IUPAC name of (E)-7-ethoxy-5-ethyltetradec-6-ene (CID 12009433) is (E)-7-ethoxy-5-ethyltetradec-6-ene.
What is the SMILES notation for (E)-7-ethoxy-5-ethyltetradec-6-ene?
The canonical SMILES for (E)-7-ethoxy-5-ethyltetradec-6-ene is CCCCCCC/C(=C\C(CC)CCCC)OCC.
What is the InChIKey of (E)-7-ethoxy-5-ethyltetradec-6-ene?
The InChIKey is NNNYPQNPGYVYCM-FBMGVBCBSA-N. The full InChI is InChI=1S/C18H36O/c1-5-9-11-12-13-15-18(19-8-4)16-17(7-3)14-10-6-2/h16-17H,5-15H2,1-4H3/b18-16+.
What are the key properties of (E)-7-ethoxy-5-ethyltetradec-6-ene?
(E)-7-ethoxy-5-ethyltetradec-6-ene has a molecular weight of 268.48 g/mol, XLogP of 6.48, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-ethoxy-5-ethyltetradec-6-ene is sourced from PubChem (CID 12009433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).