1-ethyl-4-oct-7-enoxybenzene

C16H24O — CID 158431404

IUPAC1-ethyl-4-oct-7-enoxybenzene
SMILESC=CCCCCCCOc1ccc(CC)cc1
InChIInChI=1S/C16H24O/c1-3-5-6-7-8-9-14-17-16-12-10-15(4-2)11-13-16/h3,10-13H,1,4-9,14H2,2H3
InChIKeyHNSFBIDPOKLPFF-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.76
Rot. Bonds9

About 1-ethyl-4-oct-7-enoxybenzene

1-ethyl-4-oct-7-enoxybenzene (PubChem CID 158431404) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-ethyl-4-oct-7-enoxybenzene.

Molecular Properties

Compound Name1-ethyl-4-oct-7-enoxybenzene
PubChem CID158431404
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-ethyl-4-oct-7-enoxybenzene
SMILESC=CCCCCCCOc1ccc(CC)cc1
InChIInChI=1S/C16H24O/c1-3-5-6-7-8-9-14-17-16-12-10-15(4-2)11-13-16/h3,10-13H,1,4-9,14H2,2H3
InChIKeyHNSFBIDPOKLPFF-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.76
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

1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
1-(4-hept-6-enoxyphenyl)propan-1-amine
CID 107006008
1-(4-hept-6-enoxyphenyl)ethanamine
CID 107006007
(4-non-8-enoxyphenyl) 4-pentoxybenzoate
CID 54371747
(4-pentoxyphenyl) 4-undec-10-enoxybenzoate
CID 54431546
(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048956
5-[4-(2-methylbutyl)phenyl]-2-(4-non-8-enoxyphenyl)pyrimidine
CID 19834812
(4-non-8-enoxyphenyl)boronic acid
CID 142423597
ethane;hept-1-ene;(4-hexoxyphenyl) 4-heptoxybenzoate
CID 142615529

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-oct-7-enoxybenzene?
The IUPAC name of 1-ethyl-4-oct-7-enoxybenzene (CID 158431404) is 1-ethyl-4-oct-7-enoxybenzene.
What is the SMILES notation for 1-ethyl-4-oct-7-enoxybenzene?
The canonical SMILES for 1-ethyl-4-oct-7-enoxybenzene is C=CCCCCCCOc1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-oct-7-enoxybenzene?
The InChIKey is HNSFBIDPOKLPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-5-6-7-8-9-14-17-16-12-10-15(4-2)11-13-16/h3,10-13H,1,4-9,14H2,2H3.
What are the key properties of 1-ethyl-4-oct-7-enoxybenzene?
1-ethyl-4-oct-7-enoxybenzene has a molecular weight of 232.37 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-oct-7-enoxybenzene is sourced from PubChem (CID 158431404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).