ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene

C15H24 — CID 142124188

IUPACethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene
SMILESC=CC(c1ccc(C)cc1)C(C)C.CC
InChIInChI=1S/C13H18.C2H6/c1-5-13(10(2)3)12-8-6-11(4)7-9-12;1-2/h5-10,13H,1H2,2-4H3;1-2H3
InChIKeyRJZKJJSLNUITIF-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.95
Rot. Bonds3

About ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene

ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene (PubChem CID 142124188) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene
PubChem CID142124188
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Nameethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene
SMILESC=CC(c1ccc(C)cc1)C(C)C.CC
InChIInChI=1S/C13H18.C2H6/c1-5-13(10(2)3)12-8-6-11(4)7-9-12;1-2/h5-10,13H,1H2,2-4H3;1-2H3
InChIKeyRJZKJJSLNUITIF-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-en-2-yl-4-methylbenzene;ruthenium
CID 175031395
1-(4-methylphenyl)prop-2-en-1-ol
CID 10931590
2-(4-methylpent-1-en-3-yl)phenol
CID 15879996
1-methyl-4-propan-2-ylbenzene;prop-2-enoic acid
CID 159804080
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547
buta-1,3-diene;ethane;prop-1-ene;1,4-xylene
CID 142250426
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
(2S)-3-methyl-2-(4-methylphenyl)butanenitrile
CID 40768189
1-[(2S)-3,3-dimethylbutan-2-yl]-4-methylbenzene
CID 58051727
1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene
CID 147064601
CID 143322905
CID 143322905
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene?
The IUPAC name of ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene (CID 142124188) is ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene.
What is the SMILES notation for ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene?
The canonical SMILES for ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene is C=CC(c1ccc(C)cc1)C(C)C.CC.
What is the InChIKey of ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene?
The InChIKey is RJZKJJSLNUITIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C2H6/c1-5-13(10(2)3)12-8-6-11(4)7-9-12;1-2/h5-10,13H,1H2,2-4H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene?
ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene has a molecular weight of 204.36 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene is sourced from PubChem (CID 142124188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).