cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene

C20H28 — CID 142907350

IUPACcyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene
SMILESC1CC1.C=C/C=C(\C)c1ccccc1C(=C)C.C=CC
InChIInChI=1S/C14H16.2C3H6/c1-5-8-12(4)14-10-7-6-9-13(14)11(2)3;1-2-3-1;1-3-2/h5-10H,1-2H2,3-4H3;1-3H2;3H,1H2,2H3/b12-8+;;
InChIKeyCSXYJVVMFYYRHQ-BPWZRWDXSA-N
MW268.44 g/mol
LogP6.67
Rot. Bonds3

About cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene

cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene (PubChem CID 142907350) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene.

Molecular Properties

Compound Namecyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene
PubChem CID142907350
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Namecyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene
SMILESC1CC1.C=C/C=C(\C)c1ccccc1C(=C)C.C=CC
InChIInChI=1S/C14H16.2C3H6/c1-5-8-12(4)14-10-7-6-9-13(14)11(2)3;1-2-3-1;1-3-2/h5-10H,1-2H2,3-4H3;1-3H2;3H,1H2,2H3/b12-8+;;
InChIKeyCSXYJVVMFYYRHQ-BPWZRWDXSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
1,2-bis(prop-1-en-2-yl)benzene;1,4-xylene
CID 143494216
1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene
CID 137454109
1,2-bis(prop-1-en-2-yl)benzene;toluene
CID 173384676
ethenamine;(Z)-N-methyl-1-(2-prop-1-en-2-ylphenyl)prop-1-en-1-amine
CID 143162626
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-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene
CID 144990301
actinium;2-prop-1-en-2-ylphenol
CID 20669246
2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine
CID 143367393

Frequently Asked Questions

What is the IUPAC name of cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene?
The IUPAC name of cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene (CID 142907350) is cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene.
What is the SMILES notation for cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene?
The canonical SMILES for cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene is C1CC1.C=C/C=C(\C)c1ccccc1C(=C)C.C=CC.
What is the InChIKey of cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene?
The InChIKey is CSXYJVVMFYYRHQ-BPWZRWDXSA-N. The full InChI is InChI=1S/C14H16.2C3H6/c1-5-8-12(4)14-10-7-6-9-13(14)11(2)3;1-2-3-1;1-3-2/h5-10H,1-2H2,3-4H3;1-3H2;3H,1H2,2H3/b12-8+;;.
What are the key properties of cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene?
cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene has a molecular weight of 268.44 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene is sourced from PubChem (CID 142907350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).