(E)-18-ethoxyoctadec-3-ene

C20H40O — CID 6437683

IUPAC(E)-18-ethoxyoctadec-3-ene
SMILESCC/C=C/CCCCCCCCCCCCCCOCC
InChIInChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h5-6H,3-4,7-20H2,1-2H3/b6-5+
InChIKeyWBCCOWHDSAVXAO-AATRIKPKSA-N
MW296.54 g/mol
LogP7.06
Rot. Bonds17

About (E)-18-ethoxyoctadec-3-ene

(E)-18-ethoxyoctadec-3-ene (PubChem CID 6437683) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is (E)-18-ethoxyoctadec-3-ene.

Molecular Properties

Compound Name(E)-18-ethoxyoctadec-3-ene
PubChem CID6437683
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name(E)-18-ethoxyoctadec-3-ene
SMILESCC/C=C/CCCCCCCCCCCCCCOCC
InChIInChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h5-6H,3-4,7-20H2,1-2H3/b6-5+
InChIKeyWBCCOWHDSAVXAO-AATRIKPKSA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene
CID 89100561
(Z)-7-ethoxyhept-3-ene
CID 89382132
(Z)-1-ethoxypentadec-7-ene
CID 87516958
(Z)-1-ethoxynonadec-9-ene
CID 87517612
(Z)-13-ethoxytridec-5-ene
CID 87205027
15-ethoxypentadec-7-ene
CID 91170991
8-ethoxyoct-2-ene
CID 91178347
(3E,16E)-nonadeca-3,16-diene
CID 157471321
11-ethoxyundeca-1,3-diene
CID 90984480
3-[(E)-hexadec-13-enoxy]propanenitrile
CID 101282723
1-undec-4-enoxyundec-4-ene
CID 91358832
(Z)-1-butoxyheptadec-8-ene
CID 87205101

Frequently Asked Questions

What is the IUPAC name of (E)-18-ethoxyoctadec-3-ene?
The IUPAC name of (E)-18-ethoxyoctadec-3-ene (CID 6437683) is (E)-18-ethoxyoctadec-3-ene.
What is the SMILES notation for (E)-18-ethoxyoctadec-3-ene?
The canonical SMILES for (E)-18-ethoxyoctadec-3-ene is CC/C=C/CCCCCCCCCCCCCCOCC.
What is the InChIKey of (E)-18-ethoxyoctadec-3-ene?
The InChIKey is WBCCOWHDSAVXAO-AATRIKPKSA-N. The full InChI is InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h5-6H,3-4,7-20H2,1-2H3/b6-5+.
What are the key properties of (E)-18-ethoxyoctadec-3-ene?
(E)-18-ethoxyoctadec-3-ene has a molecular weight of 296.54 g/mol, XLogP of 7.06, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-18-ethoxyoctadec-3-ene is sourced from PubChem (CID 6437683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).