ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene

C22H30 — CID 176998794

IUPACethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene
SMILESC=Cc1cccc(C(C)C)c1.C=Cc1ccccc1C.CC
InChIInChI=1S/C11H14.C9H10.C2H6/c1-4-10-6-5-7-11(8-10)9(2)3;1-3-9-7-5-4-6-8(9)2;1-2/h4-9H,1H2,2-3H3;3-7H,1H2,2H3;1-2H3
InChIKeyGZPADESRXZKWQB-UHFFFAOYSA-N
MW294.48 g/mol
LogP7.12
Rot. Bonds3

About ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene

ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene (PubChem CID 176998794) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene
PubChem CID176998794
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Nameethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene
SMILESC=Cc1cccc(C(C)C)c1.C=Cc1ccccc1C.CC
InChIInChI=1S/C11H14.C9H10.C2H6/c1-4-10-6-5-7-11(8-10)9(2)3;1-3-9-7-5-4-6-8(9)2;1-2/h4-9H,1H2,2-3H3;3-7H,1H2,2H3;1-2H3
InChIKeyGZPADESRXZKWQB-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 145064403
1-ethenyl-2-methylbenzene;trimethylazanium
CID 18465530
ethenoxyethene;1-ethenyl-2-methylbenzene
CID 175558522
1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene
CID 58982919
(1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol
CID 131152404
1-(3-ethenylphenyl)-N-fluoroethanamine
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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene?
The IUPAC name of ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene (CID 176998794) is ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene.
What is the SMILES notation for ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene?
The canonical SMILES for ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene is C=Cc1cccc(C(C)C)c1.C=Cc1ccccc1C.CC.
What is the InChIKey of ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene?
The InChIKey is GZPADESRXZKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C9H10.C2H6/c1-4-10-6-5-7-11(8-10)9(2)3;1-3-9-7-5-4-6-8(9)2;1-2/h4-9H,1H2,2-3H3;3-7H,1H2,2H3;1-2H3.
What are the key properties of ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene?
ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene has a molecular weight of 294.48 g/mol, XLogP of 7.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene is sourced from PubChem (CID 176998794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).