1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene

C19H28O2 — CID 118065148

IUPAC1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene
SMILESC=C(C)c1cccc(C(C)(C)OOC(C)(C)C)c1C(=C)C
InChIInChI=1S/C19H28O2/c1-13(2)15-11-10-12-16(17(15)14(3)4)19(8,9)21-20-18(5,6)7/h10-12H,1,3H2,2,4-9H3
InChIKeyKJIFYVJUDVDBHP-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.73
Rot. Bonds5

About 1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene

1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene (PubChem CID 118065148) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene
PubChem CID118065148
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene
SMILESC=C(C)c1cccc(C(C)(C)OOC(C)(C)C)c1C(=C)C
InChIInChI=1S/C19H28O2/c1-13(2)15-11-10-12-16(17(15)14(3)4)19(8,9)21-20-18(5,6)7/h10-12H,1,3H2,2,4-9H3
InChIKeyKJIFYVJUDVDBHP-UHFFFAOYSA-N
XLogP5.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-2-propanol
CID 12053
Cumene Hydroperoxide
CID 6629
Dicumyl peroxide
CID 6641
1,4-Bis(alpha-(t-butyldioxy)isopropyl)benzene
CID 17721
Tert-butyl cumene peroxide
CID 76997
2-Phenylbutan-2-ol
CID 15283
(1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide
CID 16654
alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene
CID 74816
2-Phenyl-pentan-2-ol
CID 138214
3-Phenylpentan-3-ol
CID 238511
2-(3-Tolyl)-2-propanol
CID 255195
1-(o-Tolyl)cyclohexan-1-ol
CID 81405

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene?
The IUPAC name of 1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene (CID 118065148) is 1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene.
What is the SMILES notation for 1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene?
The canonical SMILES for 1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene is C=C(C)c1cccc(C(C)(C)OOC(C)(C)C)c1C(=C)C.
What is the InChIKey of 1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene?
The InChIKey is KJIFYVJUDVDBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-13(2)15-11-10-12-16(17(15)14(3)4)19(8,9)21-20-18(5,6)7/h10-12H,1,3H2,2,4-9H3.
What are the key properties of 1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene?
1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene has a molecular weight of 288.43 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene is sourced from PubChem (CID 118065148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).