ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene

C17H24 — CID 166162236

IUPACethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene
SMILESC=C/C=C(/Cc1ccc(C)cc1)C(=C)C.CC
InChIInChI=1S/C15H18.C2H6/c1-5-6-15(12(2)3)11-14-9-7-13(4)8-10-14;1-2/h5-10H,1-2,11H2,3-4H3;1-2H3/b15-6-;
InChIKeyAQXZDPILDIVZRH-PSUINESXSA-N
MW228.38 g/mol
LogP5.25
Rot. Bonds4

About ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene

ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene (PubChem CID 166162236) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene
PubChem CID166162236
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Nameethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene
SMILESC=C/C=C(/Cc1ccc(C)cc1)C(=C)C.CC
InChIInChI=1S/C15H18.C2H6/c1-5-6-15(12(2)3)11-14-9-7-13(4)8-10-14;1-2/h5-10H,1-2,11H2,3-4H3;1-2H3/b15-6-;
InChIKeyAQXZDPILDIVZRH-PSUINESXSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline
CID 177153138
ethane;1-methyl-4-[2-(4-methylphenyl)prop-2-enyl]benzene
CID 153375358
[(3E)-2-formylhexa-1,3,5-trien-3-yl] 2-(4-methylphenyl)acetate
CID 143481806
1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene
CID 143365182
4-methyl-N-[4-(2-methylidenebut-3-enyl)phenyl]-N-(4-methylphenyl)aniline
CID 59728644
ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene
CID 144729160
methane;2-methylbuta-1,3-diene;1,4-xylene
CID 145089492
ethane;1-ethyl-4-methylbenzene;prop-1-ene
CID 143347591
ethane;ethene;1-methyl-4-[(2E)-penta-2,4-dien-2-yl]oxybenzene
CID 177026748
1-methyl-4-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]benzene;propane
CID 145212384
ethane;1-methyl-4-(2-methylidenebut-3-enyl)benzene;1-methyl-4-[4-[(E)-prop-1-enyl]phenyl]benzene
CID 145217102
buta-1,3-diene;ethane;prop-1-ene;1,4-xylene
CID 142250426

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene?
The IUPAC name of ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene (CID 166162236) is ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene?
The canonical SMILES for ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene is C=C/C=C(/Cc1ccc(C)cc1)C(=C)C.CC.
What is the InChIKey of ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene?
The InChIKey is AQXZDPILDIVZRH-PSUINESXSA-N. The full InChI is InChI=1S/C15H18.C2H6/c1-5-6-15(12(2)3)11-14-9-7-13(4)8-10-14;1-2/h5-10H,1-2,11H2,3-4H3;1-2H3/b15-6-;.
What are the key properties of ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene?
ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene has a molecular weight of 228.38 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene is sourced from PubChem (CID 166162236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).