(1E)-3-(2-propan-2-ylphenoxy)cyclooctene

C17H24O — CID 114228087

IUPAC(1E)-3-(2-propan-2-ylphenoxy)cyclooctene
SMILESCC(C)c1ccccc1OC1/C=C\CCCCC1
InChIInChI=1S/C17H24O/c1-14(2)16-12-8-9-13-17(16)18-15-10-6-4-3-5-7-11-15/h6,8-10,12-15H,3-5,7,11H2,1-2H3/b10-6-
InChIKeySIPRJNIVLMADMG-POHAHGRESA-N
MW244.38 g/mol
LogP5.08
Rot. Bonds3

About (1E)-3-(2-propan-2-ylphenoxy)cyclooctene

(1E)-3-(2-propan-2-ylphenoxy)cyclooctene (PubChem CID 114228087) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (1E)-3-(2-propan-2-ylphenoxy)cyclooctene.

Molecular Properties

Compound Name(1E)-3-(2-propan-2-ylphenoxy)cyclooctene
PubChem CID114228087
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(1E)-3-(2-propan-2-ylphenoxy)cyclooctene
SMILESCC(C)c1ccccc1OC1/C=C\CCCCC1
InChIInChI=1S/C17H24O/c1-14(2)16-12-8-9-13-17(16)18-15-10-6-4-3-5-7-11-15/h6,8-10,12-15H,3-5,7,11H2,1-2H3/b10-6-
InChIKeySIPRJNIVLMADMG-POHAHGRESA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1Z)-3-(2-ethenylphenoxy)cyclooctene
CID 10922278
1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene
CID 64764405
3-(2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79619454
4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide
CID 114620295
1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine
CID 114619765
1-(2-cyclohexyloxyphenyl)-N-methylethanamine
CID 43279544
1,2-dicyclohexyloxybenzene
CID 67331328
1-cyclohex-2-en-1-yloxy-2-ethenylbenzene
CID 15274159
(1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine
CID 104940189
2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile
CID 43292426
1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one
CID 115618714
1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene
CID 64763669

Frequently Asked Questions

What is the IUPAC name of (1E)-3-(2-propan-2-ylphenoxy)cyclooctene?
The IUPAC name of (1E)-3-(2-propan-2-ylphenoxy)cyclooctene (CID 114228087) is (1E)-3-(2-propan-2-ylphenoxy)cyclooctene.
What is the SMILES notation for (1E)-3-(2-propan-2-ylphenoxy)cyclooctene?
The canonical SMILES for (1E)-3-(2-propan-2-ylphenoxy)cyclooctene is CC(C)c1ccccc1OC1/C=C\CCCCC1.
What is the InChIKey of (1E)-3-(2-propan-2-ylphenoxy)cyclooctene?
The InChIKey is SIPRJNIVLMADMG-POHAHGRESA-N. The full InChI is InChI=1S/C17H24O/c1-14(2)16-12-8-9-13-17(16)18-15-10-6-4-3-5-7-11-15/h6,8-10,12-15H,3-5,7,11H2,1-2H3/b10-6-.
What are the key properties of (1E)-3-(2-propan-2-ylphenoxy)cyclooctene?
(1E)-3-(2-propan-2-ylphenoxy)cyclooctene has a molecular weight of 244.38 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-(2-propan-2-ylphenoxy)cyclooctene is sourced from PubChem (CID 114228087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).