1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene

C17H22 — CID 177234984

IUPAC1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene
SMILESC=Cc1ccccc1C(C)=C=C(CC)C(C)C
InChIInChI=1S/C17H22/c1-6-15-10-8-9-11-17(15)14(5)12-16(7-2)13(3)4/h6,8-11,13H,1,7H2,2-5H3
InChIKeyKTWXGMQAHMKEQD-UHFFFAOYSA-N
MW226.36 g/mol
LogP5.32
Rot. Bonds4

About 1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene

1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene (PubChem CID 177234984) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene.

Molecular Properties

Compound Name1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene
PubChem CID177234984
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene
SMILESC=Cc1ccccc1C(C)=C=C(CC)C(C)C
InChIInChI=1S/C17H22/c1-6-15-10-8-9-11-17(15)14(5)12-16(7-2)13(3)4/h6,8-11,13H,1,7H2,2-5H3
InChIKeyKTWXGMQAHMKEQD-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-2,3-dimethyl-1-phenylbut-1-enyl]-2-ethenylbenzene
CID 156896551
ethane;bis(1-ethenyl-2-prop-1-en-2-ylbenzene)
CID 144540747
ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane
CID 143293542
1-(bromomethyl)-2-ethenylbenzene;2-methylprop-1-ene
CID 22617263
1-(2-ethenylphenyl)-N-ethyl-N-methylethenamine
CID 155207215
N-[1-(2-ethenylphenyl)ethenyl]butanamide
CID 143009507
tris(2-ethenylbenzoate);iron(3+)
CID 18680456
1-[2-(2-ethenylphenyl)phenyl]ethanone
CID 102225851
1-(2-ethenylphenyl)ethanone;prop-2-enoic acid
CID 175101646
1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10466963
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate
CID 67203893

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene?
The IUPAC name of 1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene (CID 177234984) is 1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene.
What is the SMILES notation for 1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene?
The canonical SMILES for 1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene is C=Cc1ccccc1C(C)=C=C(CC)C(C)C.
What is the InChIKey of 1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene?
The InChIKey is KTWXGMQAHMKEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-6-15-10-8-9-11-17(15)14(5)12-16(7-2)13(3)4/h6,8-11,13H,1,7H2,2-5H3.
What are the key properties of 1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene?
1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene has a molecular weight of 226.36 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(4-ethyl-5-methylhexa-2,3-dien-2-yl)benzene is sourced from PubChem (CID 177234984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).