1,2-di(propan-2-yl)benzene;dihydrate

C12H22O2 — CID 70397314

IUPAC1,2-di(propan-2-yl)benzene;dihydrate
SMILESCC(C)c1ccccc1C(C)C.O.O
InChIInChI=1S/C12H18.2H2O/c1-9(2)11-7-5-6-8-12(11)10(3)4;;/h5-10H,1-4H3;2*1H2
InChIKeyGUPZOLXDJNLTEU-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.28
Rot. Bonds2

About 1,2-di(propan-2-yl)benzene;dihydrate

1,2-di(propan-2-yl)benzene;dihydrate (PubChem CID 70397314) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)benzene;dihydrate.

Molecular Properties

Compound Name1,2-di(propan-2-yl)benzene;dihydrate
PubChem CID70397314
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1,2-di(propan-2-yl)benzene;dihydrate
SMILESCC(C)c1ccccc1C(C)C.O.O
InChIInChI=1S/C12H18.2H2O/c1-9(2)11-7-5-6-8-12(11)10(3)4;;/h5-10H,1-4H3;2*1H2
InChIKeyGUPZOLXDJNLTEU-UHFFFAOYSA-N
XLogP2.28
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-di(propan-2-yl)benzene;1-sulfanylethanol
CID 174932639
1-(difluoromethyl)-2-propan-2-ylbenzene
CID 58978051
aziridine;1,2-di(propan-2-yl)benzene
CID 88841585
2-(2-propan-2-ylphenyl)propan-1-amine
CID 82599641
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide
CID 172680598
2,2-dichloro-1-(2-propan-2-ylphenyl)ethanol
CID 164892155
ethane;bis(2-propan-2-ylbenzonitrile)
CID 67297775
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene
CID 70457700
calcium bis(2-propan-2-ylphenolate)
CID 21315928
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)benzene;dihydrate?
The IUPAC name of 1,2-di(propan-2-yl)benzene;dihydrate (CID 70397314) is 1,2-di(propan-2-yl)benzene;dihydrate.
What is the SMILES notation for 1,2-di(propan-2-yl)benzene;dihydrate?
The canonical SMILES for 1,2-di(propan-2-yl)benzene;dihydrate is CC(C)c1ccccc1C(C)C.O.O.
What is the InChIKey of 1,2-di(propan-2-yl)benzene;dihydrate?
The InChIKey is GUPZOLXDJNLTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.2H2O/c1-9(2)11-7-5-6-8-12(11)10(3)4;;/h5-10H,1-4H3;2*1H2.
What are the key properties of 1,2-di(propan-2-yl)benzene;dihydrate?
1,2-di(propan-2-yl)benzene;dihydrate has a molecular weight of 198.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)benzene;dihydrate is sourced from PubChem (CID 70397314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).