cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene

C16H26 — CID 177043562

IUPACcyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
SMILESC1CCC1.C=C(C)c1ccc(C)cc1.CC
InChIInChI=1S/C10H12.C4H8.C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-2-4-3-1;1-2/h4-7H,1H2,2-3H3;1-4H2;1-2H3
InChIKeyAAIHSZJYXWKXGU-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.61
Rot. Bonds1

About cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene

cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene (PubChem CID 177043562) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Namecyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
PubChem CID177043562
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Namecyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
SMILESC1CCC1.C=C(C)c1ccc(C)cc1.CC
InChIInChI=1S/C10H12.C4H8.C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-2-4-3-1;1-2/h4-7H,1H2,2-3H3;1-4H2;1-2H3
InChIKeyAAIHSZJYXWKXGU-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
1-methyl-4-(4-prop-1-en-2-ylphenoxy)benzene
CID 147989654
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
1-methyl-4-[4-[4-[4-[1-[4-(4-prop-1-en-2-ylphenoxy)phenyl]ethenyl]phenoxy]phenoxy]phenyl]benzene
CID 162199902
1-methyl-4-prop-1-en-2-ylbenzene
CID 90700010
ethane;methanol;1,4-xylene
CID 171074418
potassium 1-(4-methylphenyl)ethenolate
CID 101141531
1,2-bis(prop-1-en-2-yl)benzene;1,4-xylene
CID 143494216
2-methyl-5-(4-prop-1-en-2-ylphenyl)pyridine
CID 123543700

Frequently Asked Questions

What is the IUPAC name of cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene?
The IUPAC name of cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene (CID 177043562) is cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene is C1CCC1.C=C(C)c1ccc(C)cc1.CC.
What is the InChIKey of cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene?
The InChIKey is AAIHSZJYXWKXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C4H8.C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-2-4-3-1;1-2/h4-7H,1H2,2-3H3;1-4H2;1-2H3.
What are the key properties of cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene?
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene has a molecular weight of 218.38 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 177043562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).