1-ethoxyhex-1-ene

C8H16O — CID 53422434

IUPAC1-ethoxyhex-1-ene
SMILESCCCCC=COCC
InChIInChI=1S/C8H16O/c1-3-5-6-7-8-9-4-2/h7-8H,3-6H2,1-2H3
InChIKeyQLKAZAWKFWEVLH-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.73
Rot. Bonds5

About 1-ethoxyhex-1-ene

1-ethoxyhex-1-ene (PubChem CID 53422434) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-ethoxyhex-1-ene.

Molecular Properties

Compound Name1-ethoxyhex-1-ene
PubChem CID53422434
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-ethoxyhex-1-ene
SMILESCCCCC=COCC
InChIInChI=1S/C8H16O/c1-3-5-6-7-8-9-4-2/h7-8H,3-6H2,1-2H3
InChIKeyQLKAZAWKFWEVLH-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.73
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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Related Compounds

1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
(Z)-1-ethoxypent-1-ene
CID 12512190
(E)-5-ethoxypent-4-en-1-ol
CID 18436659
1,2-bis(hex-1-enoxy)oct-3-ene
CID 87649918
1-butoxyheptadec-1-ene
CID 173032025
1-butoxynonadec-1-ene
CID 173032007
N-[(E)-7-ethoxyhept-6-enyl]-N-methylhydroxylamine
CID 163887723
1-(methoxymethoxy)hexadec-1-ene
CID 175225374
1-non-2-enoxynon-1-ene
CID 151686725
1-butoxyocta-1,6-diene
CID 87963042
(E)-1-prop-2-enoxyundec-1-ene
CID 71775346

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyhex-1-ene?
The IUPAC name of 1-ethoxyhex-1-ene (CID 53422434) is 1-ethoxyhex-1-ene.
What is the SMILES notation for 1-ethoxyhex-1-ene?
The canonical SMILES for 1-ethoxyhex-1-ene is CCCCC=COCC.
What is the InChIKey of 1-ethoxyhex-1-ene?
The InChIKey is QLKAZAWKFWEVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-6-7-8-9-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-ethoxyhex-1-ene?
1-ethoxyhex-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyhex-1-ene is sourced from PubChem (CID 53422434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).