1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide

C15H26O2 — CID 172751409

IUPAC1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide
SMILESCCCc1cccc(C(C)C)c1C(C)C.OO
InChIInChI=1S/C15H24.H2O2/c1-6-8-13-9-7-10-14(11(2)3)15(13)12(4)5;1-2/h7,9-12H,6,8H2,1-5H3;1-2H
InChIKeyKKRBGEAIXDTZHA-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.90
Rot. Bonds4

About 1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide

1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide (PubChem CID 172751409) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide.

Molecular Properties

Compound Name1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide
PubChem CID172751409
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide
SMILESCCCc1cccc(C(C)C)c1C(C)C.OO
InChIInChI=1S/C15H24.H2O2/c1-6-8-13-9-7-10-14(11(2)3)15(13)12(4)5;1-2/h7,9-12H,6,8H2,1-5H3;1-2H
InChIKeyKKRBGEAIXDTZHA-UHFFFAOYSA-N
XLogP4.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.90
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide?
The IUPAC name of 1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide (CID 172751409) is 1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide.
What is the SMILES notation for 1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide?
The canonical SMILES for 1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide is CCCc1cccc(C(C)C)c1C(C)C.OO.
What is the InChIKey of 1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide?
The InChIKey is KKRBGEAIXDTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.H2O2/c1-6-8-13-9-7-10-14(11(2)3)15(13)12(4)5;1-2/h7,9-12H,6,8H2,1-5H3;1-2H.
What are the key properties of 1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide?
1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide has a molecular weight of 238.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide is sourced from PubChem (CID 172751409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).