benzene;ethene;hydrogen peroxide;prop-1-ene

C11H18O2 — CID 174991591

IUPACbenzene;ethene;hydrogen peroxide;prop-1-ene
SMILESC=C.C=CC.OO.c1ccccc1
InChIInChI=1S/C6H6.C3H6.C2H4.H2O2/c1-2-4-6-5-3-1;1-3-2;2*1-2/h1-6H;3H,1H2,2H3;1-2H2;1-2H
InChIKeyDUUSXHWDRRBKEQ-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.70
Rot. Bonds

About benzene;ethene;hydrogen peroxide;prop-1-ene

benzene;ethene;hydrogen peroxide;prop-1-ene (PubChem CID 174991591) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is benzene;ethene;hydrogen peroxide;prop-1-ene.

Molecular Properties

Compound Namebenzene;ethene;hydrogen peroxide;prop-1-ene
PubChem CID174991591
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namebenzene;ethene;hydrogen peroxide;prop-1-ene
SMILESC=C.C=CC.OO.c1ccccc1
InChIInChI=1S/C6H6.C3H6.C2H4.H2O2/c1-2-4-6-5-3-1;1-3-2;2*1-2/h1-6H;3H,1H2,2H3;1-2H2;1-2H
InChIKeyDUUSXHWDRRBKEQ-UHFFFAOYSA-N
XLogP3.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.70
H-Bond Donors ≤ 52
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

benzene;propan-2-one;prop-1-ene
CID 90994194
ethene;tetrakis(prop-1-ene)
CID 158667737
ethene;prop-1-ene;decahydrofluoride
CID 172847314
prop-1-ene
CID 162178440
benzene;phenol;prop-1-ene
CID 174830652
(Z)-but-2-ene;ethene;bis(prop-1-ene)
CID 160593626
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866
carbonic acid;prop-1-ene;trihydrofluoride
CID 174985064
carbonic acid;phosphane;prop-1-ene
CID 174648548
ethene;prop-1-ene;terephthalic acid
CID 70629697
ethane;bis(prop-1-ene)
CID 91426438
azane;tris(prop-1-ene)
CID 162019717

Frequently Asked Questions

What is the IUPAC name of benzene;ethene;hydrogen peroxide;prop-1-ene?
The IUPAC name of benzene;ethene;hydrogen peroxide;prop-1-ene (CID 174991591) is benzene;ethene;hydrogen peroxide;prop-1-ene.
What is the SMILES notation for benzene;ethene;hydrogen peroxide;prop-1-ene?
The canonical SMILES for benzene;ethene;hydrogen peroxide;prop-1-ene is C=C.C=CC.OO.c1ccccc1.
What is the InChIKey of benzene;ethene;hydrogen peroxide;prop-1-ene?
The InChIKey is DUUSXHWDRRBKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H6.C2H4.H2O2/c1-2-4-6-5-3-1;1-3-2;2*1-2/h1-6H;3H,1H2,2H3;1-2H2;1-2H.
What are the key properties of benzene;ethene;hydrogen peroxide;prop-1-ene?
benzene;ethene;hydrogen peroxide;prop-1-ene has a molecular weight of 182.26 g/mol, XLogP of 3.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethene;hydrogen peroxide;prop-1-ene is sourced from PubChem (CID 174991591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).