1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene

C18H28O2 — CID 22132058

IUPAC1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OC(C)(CCC)OCCCC)cc1
InChIInChI=1S/C18H28O2/c1-6-8-14-19-18(5,13-7-2)20-17-11-9-16(10-12-17)15(3)4/h9-12H,3,6-8,13-14H2,1-2,4-5H3
InChIKeyFFETZHDBLFXQJO-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.43
Rot. Bonds9

About 1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene

1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene (PubChem CID 22132058) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene
PubChem CID22132058
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OC(C)(CCC)OCCCC)cc1
InChIInChI=1S/C18H28O2/c1-6-8-14-19-18(5,13-7-2)20-17-11-9-16(10-12-17)15(3)4/h9-12H,3,6-8,13-14H2,1-2,4-5H3
InChIKeyFFETZHDBLFXQJO-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene
CID 22131994
1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene
CID 22132061
1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene
CID 22336719
1-(1-butoxy-2,2-dimethylpropoxy)-4-prop-1-en-2-ylbenzene
CID 22132053
1-heptoxy-4-[4-(4-prop-1-en-2-ylphenyl)phenyl]benzene
CID 58428325
1-[3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]-4-prop-1-en-2-ylbenzene;ethane
CID 163241395
2,2-dibutoxypropan-1-ol
CID 145497919
1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene
CID 139799938
1-[4-(2-methylbut-3-en-2-yloxy)phenyl]heptan-1-one
CID 139638747
1-ethenyl-4-(2-methoxyhexan-2-yloxy)benzene
CID 23504206
1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene
CID 143299970
1-methyl-4-(2-methylpentan-2-yloxy)benzene
CID 163980020

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene (CID 22132058) is 1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(OC(C)(CCC)OCCCC)cc1.
What is the InChIKey of 1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene?
The InChIKey is FFETZHDBLFXQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-6-8-14-19-18(5,13-7-2)20-17-11-9-16(10-12-17)15(3)4/h9-12H,3,6-8,13-14H2,1-2,4-5H3.
What are the key properties of 1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene?
1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene has a molecular weight of 276.42 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 22132058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).