(E)-1-ethoxy-3-ethylhex-1-ene

C10H20O — CID 134906000

IUPAC(E)-1-ethoxy-3-ethylhex-1-ene
SMILESCCCC(/C=C/OCC)CC
InChIInChI=1S/C10H20O/c1-4-7-10(5-2)8-9-11-6-3/h8-10H,4-7H2,1-3H3/b9-8+
InChIKeyNEHGPVIOAZZDTB-CMDGGOBGSA-N
MW156.27 g/mol
LogP3.36
Rot. Bonds6

About (E)-1-ethoxy-3-ethylhex-1-ene

(E)-1-ethoxy-3-ethylhex-1-ene (PubChem CID 134906000) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-1-ethoxy-3-ethylhex-1-ene.

Molecular Properties

Compound Name(E)-1-ethoxy-3-ethylhex-1-ene
PubChem CID134906000
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(E)-1-ethoxy-3-ethylhex-1-ene
SMILESCCCC(/C=C/OCC)CC
InChIInChI=1S/C10H20O/c1-4-7-10(5-2)8-9-11-6-3/h8-10H,4-7H2,1-3H3/b9-8+
InChIKeyNEHGPVIOAZZDTB-CMDGGOBGSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-butyl-4H-pyran
CID 15612482
[(E)-2-methoxyethenyl]cyclohexane
CID 12552145
[(Z)-2-methoxyethenyl]cyclohexane
CID 12552146
Heptenyl ether
CID 54375697
2-Methoxyethenylcyclohexane
CID 57065092
1-Ethoxy-4-methyl-1-nonene
CID 3023475
1-Ethoxy-4-methylnon-1-ene
CID 6366398
(E)-1-methoxyhept-1-ene
CID 11126280
(1Z)-1-heptenyl methyl ether
CID 21677643
2,2-di(propan-2-yl)-3H-furan
CID 45091822
(1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene
CID 10535449
4-butan-2-yl-4H-pyran
CID 10725412

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethoxy-3-ethylhex-1-ene?
The IUPAC name of (E)-1-ethoxy-3-ethylhex-1-ene (CID 134906000) is (E)-1-ethoxy-3-ethylhex-1-ene.
What is the SMILES notation for (E)-1-ethoxy-3-ethylhex-1-ene?
The canonical SMILES for (E)-1-ethoxy-3-ethylhex-1-ene is CCCC(/C=C/OCC)CC.
What is the InChIKey of (E)-1-ethoxy-3-ethylhex-1-ene?
The InChIKey is NEHGPVIOAZZDTB-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H20O/c1-4-7-10(5-2)8-9-11-6-3/h8-10H,4-7H2,1-3H3/b9-8+.
What are the key properties of (E)-1-ethoxy-3-ethylhex-1-ene?
(E)-1-ethoxy-3-ethylhex-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxy-3-ethylhex-1-ene is sourced from PubChem (CID 134906000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).