1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene

C17H24O2 — CID 19814596

IUPAC1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene
SMILESC=CC(C)(C)OOC(C)(C)c1cccc(C(=C)C)c1
InChIInChI=1S/C17H24O2/c1-8-16(4,5)18-19-17(6,7)15-11-9-10-14(12-15)13(2)3/h8-12H,1-2H2,3-7H3
InChIKeyHMPFQGCGLQJGBV-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.87
Rot. Bonds6

About 1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene

1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene (PubChem CID 19814596) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene
PubChem CID19814596
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene
SMILESC=CC(C)(C)OOC(C)(C)c1cccc(C(=C)C)c1
InChIInChI=1S/C17H24O2/c1-8-16(4,5)18-19-17(6,7)15-11-9-10-14(12-15)13(2)3/h8-12H,1-2H2,3-7H3
InChIKeyHMPFQGCGLQJGBV-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]benzene
CID 19814593
1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene
CID 134569595
1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane
CID 175999840
1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene
CID 58759055
1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene;isocyanic acid
CID 87222174
1-prop-1-en-2-yl-3-[2-[2-(3-prop-1-en-2-ylphenyl)heptan-2-ylperoxy]heptan-2-yl]benzene
CID 174913877
1-[1-butylperoxy-2-[1-butylperoxy-2-(3-prop-1-en-2-ylphenyl)propan-2-yl]peroxypropan-2-yl]-3-prop-1-en-2-ylbenzene
CID 172702100
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201
1,3-bis(2-tert-butylperoxypropan-2-yl)benzene
CID 161027852
prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid
CID 67918073
1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene
CID 142555412
6-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]hexyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 19917583

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene?
The IUPAC name of 1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene (CID 19814596) is 1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene is C=CC(C)(C)OOC(C)(C)c1cccc(C(=C)C)c1.
What is the InChIKey of 1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene?
The InChIKey is HMPFQGCGLQJGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-8-16(4,5)18-19-17(6,7)15-11-9-10-14(12-15)13(2)3/h8-12H,1-2H2,3-7H3.
What are the key properties of 1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene?
1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene has a molecular weight of 260.38 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 19814596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).