1,4-bis(ethenyl)-2-methylbenzene;dihydrate

C11H16O2 — CID 134586695

IUPAC1,4-bis(ethenyl)-2-methylbenzene;dihydrate
SMILESC=Cc1ccc(C=C)c(C)c1.O.O
InChIInChI=1S/C11H12.2H2O/c1-4-10-6-7-11(5-2)9(3)8-10;;/h4-8H,1-2H2,3H3;2*1H2
InChIKeyQGDRVNODEGXFNX-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.63
Rot. Bonds2

About 1,4-bis(ethenyl)-2-methylbenzene;dihydrate

1,4-bis(ethenyl)-2-methylbenzene;dihydrate (PubChem CID 134586695) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,4-bis(ethenyl)-2-methylbenzene;dihydrate.

Molecular Properties

Compound Name1,4-bis(ethenyl)-2-methylbenzene;dihydrate
PubChem CID134586695
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1,4-bis(ethenyl)-2-methylbenzene;dihydrate
SMILESC=Cc1ccc(C=C)c(C)c1.O.O
InChIInChI=1S/C11H12.2H2O/c1-4-10-6-7-11(5-2)9(3)8-10;;/h4-8H,1-2H2,3H3;2*1H2
InChIKeyQGDRVNODEGXFNX-UHFFFAOYSA-N
XLogP1.63
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;4-ethenyl-1,2-dimethylbenzene
CID 142852203
1-ethenyl-2,4-dimethylbenzene
CID 157285903
1,4-bis(ethenyl)-2-ethylbenzene
CID 57040233
1,4-bis(ethenyl)-2,3-dimethylbenzene;dihydrate
CID 134586687
4-[(E)-but-2-enyl]-1-ethenyl-2-methylbenzene
CID 145113749
2-(4-ethenyl-2-methylphenyl)propan-2-amine
CID 87184185
1-(chloromethyl)-4-ethenyl-2-methylbenzene
CID 19883805
4-ethenyl-2-fluoro-1-methylbenzene
CID 20708999
1,2,4-tris(ethenyl)-5-methylbenzene
CID 59335502
2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride
CID 173026090
CID 174884210
CID 174884210
4-ethenyl-2-methylphenol;styrene
CID 158833032

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenyl)-2-methylbenzene;dihydrate?
The IUPAC name of 1,4-bis(ethenyl)-2-methylbenzene;dihydrate (CID 134586695) is 1,4-bis(ethenyl)-2-methylbenzene;dihydrate.
What is the SMILES notation for 1,4-bis(ethenyl)-2-methylbenzene;dihydrate?
The canonical SMILES for 1,4-bis(ethenyl)-2-methylbenzene;dihydrate is C=Cc1ccc(C=C)c(C)c1.O.O.
What is the InChIKey of 1,4-bis(ethenyl)-2-methylbenzene;dihydrate?
The InChIKey is QGDRVNODEGXFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.2H2O/c1-4-10-6-7-11(5-2)9(3)8-10;;/h4-8H,1-2H2,3H3;2*1H2.
What are the key properties of 1,4-bis(ethenyl)-2-methylbenzene;dihydrate?
1,4-bis(ethenyl)-2-methylbenzene;dihydrate has a molecular weight of 180.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenyl)-2-methylbenzene;dihydrate is sourced from PubChem (CID 134586695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).