1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate

C20H28O — CID 142132949

IUPAC1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate
SMILESC=Cc1ccc(C(C)C)cc1.CCc1ccc(C)cc1.O
InChIInChI=1S/C11H14.C9H12.H2O/c1-4-10-5-7-11(8-6-10)9(2)3;1-3-9-6-4-8(2)5-7-9;/h4-9H,1H2,2-3H3;4-7H,3H2,1-2H3;1H2
InChIKeyQNIQHYBXLHZDLM-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.19
Rot. Bonds3

About 1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate

1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate (PubChem CID 142132949) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate.

Molecular Properties

Compound Name1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate
PubChem CID142132949
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate
SMILESC=Cc1ccc(C(C)C)cc1.CCc1ccc(C)cc1.O
InChIInChI=1S/C11H14.C9H12.H2O/c1-4-10-5-7-11(8-6-10)9(2)3;1-3-9-6-4-8(2)5-7-9;/h4-9H,1H2,2-3H3;4-7H,3H2,1-2H3;1H2
InChIKeyQNIQHYBXLHZDLM-UHFFFAOYSA-N
XLogP5.19
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
ethane;1-ethyl-4-(4-propan-2-ylphenyl)benzene
CID 143715376
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
ethane;1-ethyl-4-methylbenzene;prop-1-ene
CID 143347591
CID 174976037
CID 174976037
1-ethenyl-4-methylbenzene;methane
CID 142136023
1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene
CID 21201014
1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene
CID 159036970
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866
bis(1-ethenyl-4-methylbenzene);formaldehyde
CID 144930982
1-ethenyl-4-methylbenzene;methanamine
CID 23466173
1-(4-ethenylphenyl)-4-(4-methylphenyl)benzene
CID 123748481

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate?
The IUPAC name of 1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate (CID 142132949) is 1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate.
What is the SMILES notation for 1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate?
The canonical SMILES for 1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate is C=Cc1ccc(C(C)C)cc1.CCc1ccc(C)cc1.O.
What is the InChIKey of 1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate?
The InChIKey is QNIQHYBXLHZDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C9H12.H2O/c1-4-10-5-7-11(8-6-10)9(2)3;1-3-9-6-4-8(2)5-7-9;/h4-9H,1H2,2-3H3;4-7H,3H2,1-2H3;1H2.
What are the key properties of 1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate?
1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate has a molecular weight of 284.44 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-propan-2-ylbenzene;1-ethyl-4-methylbenzene;hydrate is sourced from PubChem (CID 142132949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).