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

C14H20O — CID 22336719

IUPAC1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OC(C)(C)CC)cc1
InChIInChI=1S/C14H20O/c1-6-14(4,5)15-13-9-7-12(8-10-13)11(2)3/h7-10H,2,6H2,1,3-5H3
InChIKeyIZYHCUTTWJQLSK-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.29
Rot. Bonds4

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

1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene (PubChem CID 22336719) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene
PubChem CID22336719
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OC(C)(C)CC)cc1
InChIInChI=1S/C14H20O/c1-6-14(4,5)15-13-9-7-12(8-10-13)11(2)3/h7-10H,2,6H2,1,3-5H3
InChIKeyIZYHCUTTWJQLSK-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 572689
1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene
CID 22132061
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
methyl 4-(2-methylbutan-2-yloxy)benzoate
CID 71046237
1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene
CID 22131994
1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
CID 145340247
1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene
CID 22132058
ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
CID 144811052
(4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate
CID 145451128
1-(1-butoxy-2,2-dimethylpropoxy)-4-prop-1-en-2-ylbenzene
CID 22132053
tris(4-prop-1-en-2-ylphenyl) stiborite
CID 172799165

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene (CID 22336719) is 1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(OC(C)(C)CC)cc1.
What is the InChIKey of 1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene?
The InChIKey is IZYHCUTTWJQLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-6-14(4,5)15-13-9-7-12(8-10-13)11(2)3/h7-10H,2,6H2,1,3-5H3.
What are the key properties of 1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene?
1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene has a molecular weight of 204.31 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 22336719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).