1,3-di(propan-2-yl)benzene-2-ide

C12H17- — CID 102286386

IUPAC1,3-di(propan-2-yl)benzene-2-ide
SMILESCC(C)c1[c-]c(C(C)C)ccc1
InChIInChI=1S/C12H17/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-7,9-10H,1-4H3/q-1
InChIKeyZNVFALYYCVAYPN-UHFFFAOYSA-N
MW161.27 g/mol
LogP3.73
Rot. Bonds2

About 1,3-di(propan-2-yl)benzene-2-ide

1,3-di(propan-2-yl)benzene-2-ide (PubChem CID 102286386) has the molecular formula C12H17- and a molecular weight of 161.27 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)benzene-2-ide.

Molecular Properties

Compound Name1,3-di(propan-2-yl)benzene-2-ide
PubChem CID102286386
Molecular FormulaC12H17-
Molecular Weight161.27 g/mol
Exact Mass161.13
IUPAC Name1,3-di(propan-2-yl)benzene-2-ide
SMILESCC(C)c1[c-]c(C(C)C)ccc1
InChIInChI=1S/C12H17/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-7,9-10H,1-4H3/q-1
InChIKeyZNVFALYYCVAYPN-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethylheptane;1,3-di(propan-2-yl)benzene-2-ide;platinum
CID 157096140
N-(3-propan-2-ylbenzene-2-id-1-yl)methanimine;yttrium
CID 164767448
propan-2-ylbenzene;yttrium
CID 58365433
propan-2-ylcyclodecapentaene
CID 123508933
benzene;cumene
CID 157215889
cumene
CID 161227923
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
cumene;hydrogen peroxide
CID 21225480
cumene;zinc
CID 159490121
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132
CID 160506105
CID 160506105

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)benzene-2-ide?
The IUPAC name of 1,3-di(propan-2-yl)benzene-2-ide (CID 102286386) is 1,3-di(propan-2-yl)benzene-2-ide.
What is the SMILES notation for 1,3-di(propan-2-yl)benzene-2-ide?
The canonical SMILES for 1,3-di(propan-2-yl)benzene-2-ide is CC(C)c1[c-]c(C(C)C)ccc1.
What is the InChIKey of 1,3-di(propan-2-yl)benzene-2-ide?
The InChIKey is ZNVFALYYCVAYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-7,9-10H,1-4H3/q-1.
What are the key properties of 1,3-di(propan-2-yl)benzene-2-ide?
1,3-di(propan-2-yl)benzene-2-ide has a molecular weight of 161.27 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)benzene-2-ide is sourced from PubChem (CID 102286386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).