1-ethyl-2-hept-6-enoxybenzene

C15H22O — CID 107010566

IUPAC1-ethyl-2-hept-6-enoxybenzene
SMILESC=CCCCCCOc1ccccc1CC
InChIInChI=1S/C15H22O/c1-3-5-6-7-10-13-16-15-12-9-8-11-14(15)4-2/h3,8-9,11-12H,1,4-7,10,13H2,2H3
InChIKeyOZIXWJWMUYSNJF-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.37
Rot. Bonds8

About 1-ethyl-2-hept-6-enoxybenzene

1-ethyl-2-hept-6-enoxybenzene (PubChem CID 107010566) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-ethyl-2-hept-6-enoxybenzene.

Molecular Properties

Compound Name1-ethyl-2-hept-6-enoxybenzene
PubChem CID107010566
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-ethyl-2-hept-6-enoxybenzene
SMILESC=CCCCCCOc1ccccc1CC
InChIInChI=1S/C15H22O/c1-3-5-6-7-10-13-16-15-12-9-8-11-14(15)4-2/h3,8-9,11-12H,1,4-7,10,13H2,2H3
InChIKeyOZIXWJWMUYSNJF-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.37
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

(2-hept-6-enoxyphenyl)methanol
CID 107007457
1-butoxy-2-non-8-enylbenzene
CID 18786588
1-ethyl-2-heptoxybenzene
CID 22723794
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
ethane;1-ethyl-2-[(Z)-hept-4-enoxy]benzene;hydrate
CID 143031035
1,3-bis(dec-9-enoxy)-2-phenylbenzene
CID 134837533
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278
2-dec-9-enoxybenzoate
CID 22354189
2-bromo-1,3-bis(hex-5-enoxy)benzene
CID 10882709
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine
CID 107006072

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hept-6-enoxybenzene?
The IUPAC name of 1-ethyl-2-hept-6-enoxybenzene (CID 107010566) is 1-ethyl-2-hept-6-enoxybenzene.
What is the SMILES notation for 1-ethyl-2-hept-6-enoxybenzene?
The canonical SMILES for 1-ethyl-2-hept-6-enoxybenzene is C=CCCCCCOc1ccccc1CC.
What is the InChIKey of 1-ethyl-2-hept-6-enoxybenzene?
The InChIKey is OZIXWJWMUYSNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-3-5-6-7-10-13-16-15-12-9-8-11-14(15)4-2/h3,8-9,11-12H,1,4-7,10,13H2,2H3.
What are the key properties of 1-ethyl-2-hept-6-enoxybenzene?
1-ethyl-2-hept-6-enoxybenzene has a molecular weight of 218.34 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hept-6-enoxybenzene is sourced from PubChem (CID 107010566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).